data_2mmi_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 2mmi _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.335 0 N-CA-C 110.015 -1.234 . . . . 100.0 110.015 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.04 152.62 47.73 Favored 'General case' 0 CA--C 1.495 -1.166 0 CA-C-N 113.419 -1.391 . . . . 100.0 108.555 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.9 m -84.44 83.23 8.07 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 105.914 -1.884 . . . . 100.0 105.914 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.65 141.68 46.14 Favored 'General case' 0 N--CA 1.427 -1.596 0 N-CA-C 104.184 -2.524 . . . . 100.0 104.184 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.59 36.62 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.327 -0.851 . . . . 100.0 110.786 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.04 28.69 18.03 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 113.071 -1.877 . . . . 100.0 112.79 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.1 p 51.69 43.44 29.91 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.831 2.053 . . . . 100.0 113.02 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.9 m -73.32 138.6 45.51 Favored 'General case' 0 C--N 1.357 0.929 0 N-CA-C 107.834 -1.173 . . . . 100.0 107.834 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.0 130.26 36.28 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 106.967 -1.494 . . . . 100.0 106.967 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -62.63 -42.03 99.36 Favored 'General case' 0 CA--C 1.495 -1.17 0 N-CA-C 117.581 2.438 . . . . 100.0 117.581 -177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -71.24 157.21 38.52 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 122.406 1.098 . . . . 100.0 113.388 -177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.73 87.24 6.33 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 113.931 -1.486 . . . . 100.0 109.279 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.43 HD11 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.04 -11.05 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 N-CA-C 119.514 3.153 . . . . 100.0 119.514 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.05 147.35 52.34 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 119.824 1.193 . . . . 100.0 109.195 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.08 92.42 Favored 'General case' 0 CA--C 1.497 -1.094 0 C-N-CA 125.285 1.434 . . . . 100.0 113.142 -176.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -62.98 -42.37 99.82 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-O 117.235 -1.364 . . . . 100.0 112.887 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.8 p 164.06 -47.95 0.0 OUTLIER 'General case' 0 C--N 1.376 1.76 0 O-C-N 124.74 1.275 . . . . 100.0 113.211 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.531 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.74 -179.12 7.1 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 116.309 1.966 . . . . 100.0 116.309 -176.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 20' ' ' PHE . 83.1 m -72.41 164.83 25.7 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 119.778 -1.826 . . . . 100.0 109.296 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.429 ' HB2' HD13 ' A' ' 13' ' ' ILE . 84.4 t80 -60.06 -42.65 94.99 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.767 2.027 . . . . 100.0 108.047 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.24 -38.93 92.79 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.961 1.705 . . . . 100.0 110.377 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -90.98 12.14 20.63 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 126.554 1.942 . . . . 100.0 112.275 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.86 -41.51 89.03 Favored Pre-proline 0 N--CA 1.441 -0.911 0 CA-C-O 115.411 -2.233 . . . . 100.0 113.325 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.2 -33.82 98.2 Favored 'Trans proline' 0 C--N 1.38 2.192 0 CA-C-N 124.073 2.49 . . . . 100.0 112.437 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.05 -23.55 64.98 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.129 0.972 . . . . 100.0 112.563 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.4 m -61.07 -35.93 78.28 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 125.055 1.342 . . . . 100.0 110.37 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.4 m -60.81 -38.29 84.87 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 125.04 1.336 . . . . 100.0 110.581 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.56 139.06 56.91 Favored 'General case' 0 C--N 1.36 1.041 0 N-CA-C 106.755 -1.572 . . . . 100.0 106.755 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.46 11.25 31.39 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 114.6 1.333 . . . . 100.0 114.6 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -61.63 -39.25 90.63 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 123.267 0.627 . . . . 100.0 112.395 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -62.13 -42.36 99.17 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 123.638 0.775 . . . . 100.0 110.742 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -62.62 -39.62 94.38 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 124.157 0.983 . . . . 100.0 111.464 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -69.49 151.96 45.42 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.756 -0.831 . . . . 100.0 108.756 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.95 2.34 64.66 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-O 119.274 -0.736 . . . . 100.0 112.243 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -98.65 138.36 35.94 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 107.588 -1.264 . . . . 100.0 107.588 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.38 -47.5 85.81 Favored 'General case' 0 N--CA 1.435 -1.198 0 C-N-CA 124.982 1.313 . . . . 100.0 113.01 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -129.97 125.43 35.39 Favored 'General case' 0 CA--C 1.492 -1.252 0 CA-C-N 118.839 0.745 . . . . 100.0 110.514 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.1 -39.82 90.28 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 125.449 1.5 . . . . 100.0 110.163 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.73 -23.41 67.35 Favored 'General case' 0 CA--C 1.498 -1.044 0 C-N-CA 126.461 1.904 . . . . 100.0 114.278 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.44 134.46 56.45 Favored 'General case' 0 C--N 1.36 1.054 0 CA-C-O 121.774 0.797 . . . . 100.0 109.949 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -81.26 119.67 23.93 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 122.754 1.264 . . . . 100.0 110.966 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -144.96 179.88 7.06 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 128.328 2.651 . . . . 100.0 106.287 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -61.39 -42.33 98.55 Favored 'General case' 0 C--N 1.357 0.891 0 C-N-CA 123.965 0.906 . . . . 100.0 110.338 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -65.06 147.24 53.84 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.623 0.769 . . . . 100.0 111.545 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -74.01 125.02 90.54 Favored Pre-proline 0 C--N 1.355 0.806 0 CA-C-N 116.03 -0.532 . . . . 100.0 111.028 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -58.37 -37.11 96.47 Favored 'Trans proline' 0 C--N 1.372 1.786 0 C-N-CA 124.383 3.388 . . . . 100.0 114.801 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.482 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.7 tt0 -78.41 128.13 33.19 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 105.716 -1.957 . . . . 100.0 105.716 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -100.94 131.66 46.72 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-O 121.742 0.782 . . . . 100.0 110.321 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.79 -47.08 86.76 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 124.979 1.311 . . . . 100.0 113.66 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.21 -41.79 94.13 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 113.389 0.885 . . . . 100.0 113.389 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.478 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 60.7 p -84.95 82.39 8.47 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-O 121.814 0.816 . . . . 100.0 111.005 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -92.02 106.23 18.3 Favored 'General case' 0 N--CA 1.435 -1.18 0 N-CA-C 106.735 -1.58 . . . . 100.0 106.735 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.05 -13.64 60.9 Favored Glycine 0 N--CA 1.433 -1.513 0 CA-C-N 113.709 -1.587 . . . . 100.0 113.81 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.478 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 75.4 mt-10 -70.33 -41.05 73.76 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 118.4 1.1 . . . . 100.0 110.715 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -62.64 -45.78 91.27 Favored 'General case' 0 CA--C 1.493 -1.214 0 C-N-CA 124.735 1.214 . . . . 100.0 109.845 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.6 t0 53.66 42.43 31.85 Favored 'General case' 0 C--N 1.361 1.106 0 C-N-CA 126.334 1.854 . . . . 100.0 110.521 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.1 t -103.77 -51.5 8.63 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.879 0 N-CA-C 106.535 -1.654 . . . . 100.0 106.535 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.326 25.7 m-85 -64.76 -39.49 93.71 Favored 'General case' 0 CA--C 1.487 -1.45 0 N-CA-C 116.78 2.141 . . . . 100.0 116.78 -178.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -61.72 -48.61 89.26 Favored Pre-proline 0 C--N 1.357 0.932 0 CA-C-O 116.911 -1.519 . . . . 100.0 113.393 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -76.46 -18.27 15.82 Favored 'Trans proline' 0 C--N 1.377 2.072 0 CA-C-N 122.357 1.877 . . . . 100.0 113.28 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 53.76 44.22 29.92 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 126.302 1.841 . . . . 100.0 112.435 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 tp -110.65 120.93 44.03 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 106.132 -1.803 . . . . 100.0 106.132 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -119.66 125.05 47.76 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 105.366 -2.087 . . . . 100.0 105.366 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 61.1 mtm -116.35 114.63 24.57 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 106.625 -1.62 . . . . 100.0 106.625 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.498 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 77.4 mt-10 -64.66 -40.08 94.81 Favored 'General case' 0 CA--C 1.488 -1.439 0 CA-C-N 114.815 -1.084 . . . . 100.0 113.648 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.31 -43.77 97.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 C-N-CA 124.086 0.954 . . . . 100.0 109.723 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.07 -48.93 86.21 Favored 'Isoleucine or valine' 0 C--N 1.36 1.05 0 CA-C-O 117.918 -1.039 . . . . 100.0 111.005 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.498 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.382 18.1 p90 -69.22 -39.02 78.82 Favored 'General case' 0 C--N 1.361 1.085 0 N-CA-C 115.028 1.492 . . . . 100.0 115.028 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 . . . . . 0 CA--C 1.495 -1.151 0 CA-C-O 123.185 1.469 . . . . 100.0 114.005 -178.329 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.422 0 N-CA-C 110.033 -1.227 . . . . 100.0 110.033 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -128.02 152.63 47.7 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 113.449 -1.375 . . . . 100.0 108.562 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.6 m -84.39 83.23 8.06 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 106.005 -1.85 . . . . 100.0 106.005 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.67 141.65 46.21 Favored 'General case' 0 N--CA 1.427 -1.618 0 N-CA-C 104.187 -2.523 . . . . 100.0 104.187 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.7 128.52 36.34 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 115.334 -0.848 . . . . 100.0 110.79 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.05 28.7 18.05 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 113.096 -1.865 . . . . 100.0 112.811 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.1 p 51.65 43.4 29.87 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.831 2.052 . . . . 100.0 113.049 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.25 138.61 45.64 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 107.786 -1.19 . . . . 100.0 107.786 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.2 36.18 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 106.964 -1.495 . . . . 100.0 106.964 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.61 -41.95 99.29 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 117.614 2.45 . . . . 100.0 117.614 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.402 ' HG2' HG21 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.34 157.21 38.48 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-O 122.367 1.08 . . . . 100.0 113.414 -177.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -81.76 87.33 6.34 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 113.98 -1.463 . . . . 100.0 109.173 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.424 HD11 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.08 -11.01 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 119.547 3.165 . . . . 100.0 119.547 -178.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.08 147.33 52.44 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 119.826 1.194 . . . . 100.0 109.216 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.03 92.1 Favored 'General case' 0 CA--C 1.497 -1.094 0 C-N-CA 125.286 1.434 . . . . 100.0 113.185 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.511 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.6 m80 -63.13 -42.23 99.45 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-O 117.246 -1.359 . . . . 100.0 112.885 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.4 p 164.06 -48.04 0.0 OUTLIER 'General case' 0 C--N 1.377 1.767 0 O-C-N 124.68 1.237 . . . . 100.0 113.191 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.534 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.65 -179.17 7.09 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 116.3 1.963 . . . . 100.0 116.3 -176.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 20' ' ' PHE . 84.0 m -72.42 164.84 25.7 Favored 'General case' 0 C--N 1.36 1.045 0 O-C-N 119.813 -1.804 . . . . 100.0 109.273 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.42 ' HB2' HD13 ' A' ' 13' ' ' ILE . 84.5 t80 -60.11 -42.62 95.13 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 126.814 2.046 . . . . 100.0 108.042 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.23 -38.9 92.7 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 125.891 1.676 . . . . 100.0 110.42 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -91.05 12.2 20.59 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 126.492 1.917 . . . . 100.0 112.268 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.57 89.37 Favored Pre-proline 0 N--CA 1.44 -0.935 0 CA-C-O 115.447 -2.216 . . . . 100.0 113.344 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.21 -33.77 98.17 Favored 'Trans proline' 0 C--N 1.379 2.181 0 CA-C-N 124.039 2.478 . . . . 100.0 112.451 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.05 -23.62 64.99 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 124.147 0.979 . . . . 100.0 112.547 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.534 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 92.9 m -61.0 -35.93 78.15 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 125.059 1.344 . . . . 100.0 110.403 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.78 -38.39 85.16 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.047 1.339 . . . . 100.0 110.554 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.44 139.08 57.07 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 106.746 -1.576 . . . . 100.0 106.746 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.5 17.08 13.77 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 114.617 1.34 . . . . 100.0 114.617 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.9 -44.92 93.98 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 125.058 1.343 . . . . 100.0 111.271 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -63.49 -40.59 97.5 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 123.665 0.786 . . . . 100.0 112.812 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -65.01 -40.16 94.49 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 124.113 0.965 . . . . 100.0 111.308 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -67.97 151.26 47.38 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.085 0.954 . . . . 100.0 110.671 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.36 -1.65 69.92 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-O 119.005 -0.886 . . . . 100.0 112.339 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -95.47 142.19 28.13 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 118.084 0.942 . . . . 100.0 110.079 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -60.01 -48.01 83.48 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 125.202 1.401 . . . . 100.0 113.895 -176.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.7 mt -129.58 124.15 33.09 Favored 'General case' 0 CA--C 1.489 -1.368 0 CA-C-N 119.122 0.874 . . . . 100.0 111.317 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.78 -39.05 84.13 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 124.625 1.17 . . . . 100.0 110.432 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.82 -24.4 67.74 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 125.974 1.709 . . . . 100.0 113.297 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -61.4 134.65 57.15 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 123.891 0.876 . . . . 100.0 110.493 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -78.48 123.56 27.18 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-O 123.126 1.441 . . . . 100.0 112.184 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -146.64 176.63 9.69 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 129.35 3.06 . . . . 100.0 106.941 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -61.39 -40.7 95.3 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.791 0.836 . . . . 100.0 110.536 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.6 p90 -69.46 156.81 38.26 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.369 0.604 . . . . 100.0 112.227 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -75.09 124.49 89.42 Favored Pre-proline 0 N--CA 1.439 -1.005 0 CA-C-N 114.697 -1.138 . . . . 100.0 110.158 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.33 -34.8 93.2 Favored 'Trans proline' 0 C--N 1.371 1.727 0 C-N-CA 124.568 3.512 . . . . 100.0 112.709 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.484 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.6 tt0 -76.77 128.45 34.66 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 106.022 -1.844 . . . . 100.0 106.022 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 61.7 mt-10 -100.01 129.5 46.07 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-O 121.891 0.853 . . . . 100.0 109.977 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.4 mt -62.85 -45.94 90.22 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 125.187 1.395 . . . . 100.0 112.871 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.35 -42.74 96.07 Favored 'General case' 0 CA--C 1.496 -1.101 0 C-N-CA 123.965 0.906 . . . . 100.0 113.256 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.561 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 24.2 p -86.63 84.94 7.29 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-O 121.909 0.861 . . . . 100.0 110.189 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -91.83 105.95 18.1 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 105.973 -1.862 . . . . 100.0 105.973 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.73 -12.62 62.99 Favored Glycine 0 N--CA 1.435 -1.388 0 CA-C-N 113.859 -1.519 . . . . 100.0 113.902 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.561 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 38.6 mt-10 -70.23 -42.43 72.28 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 118.552 1.176 . . . . 100.0 111.174 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.28 -44.85 93.91 Favored 'General case' 0 CA--C 1.497 -1.066 0 C-N-CA 124.388 1.075 . . . . 100.0 110.023 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.4 t0 54.04 41.07 32.17 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 127.249 2.22 . . . . 100.0 111.275 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.5 t -101.83 -47.61 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 N-CA-C 105.37 -2.085 . . . . 100.0 105.37 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.369 26.1 m-85 -64.39 -38.32 90.63 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 116.771 2.138 . . . . 100.0 116.771 -178.759 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.429 ' HB2' ' HD3' ' A' ' 60' ' ' PRO . 64.5 m-20 -61.91 -48.34 89.18 Favored Pre-proline 0 C--N 1.359 1.016 0 CA-C-O 116.906 -1.521 . . . . 100.0 110.895 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HD3' ' HB2' ' A' ' 59' ' ' ASP . 33.6 Cg_exo -70.3 -26.19 25.3 Favored 'Trans proline' 0 C--N 1.383 2.346 0 C-N-CA 122.259 1.972 . . . . 100.0 112.023 177.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.7 t70 55.73 42.42 29.27 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 127.367 2.267 . . . . 100.0 111.709 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.4 mt -115.14 128.07 55.97 Favored 'General case' 0 CA--C 1.491 -1.317 0 N-CA-C 107.095 -1.446 . . . . 100.0 107.095 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -109.74 121.85 46.16 Favored 'General case' 0 CA--C 1.492 -1.265 0 N-CA-C 104.608 -2.367 . . . . 100.0 104.608 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 89.7 mtp -109.28 109.45 20.37 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 105.761 -1.94 . . . . 100.0 105.761 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.487 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 51.5 mt-10 -64.09 -40.93 97.3 Favored 'General case' 0 CA--C 1.491 -1.291 0 CA-C-N 114.34 -1.3 . . . . 100.0 113.494 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.42 -44.26 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 C-N-CA 124.577 1.151 . . . . 100.0 109.968 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.7 t -62.4 -49.39 84.12 Favored 'Isoleucine or valine' 0 C--N 1.361 1.086 0 CA-C-O 118.13 -0.938 . . . . 100.0 110.88 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.444 26.5 p90 -68.74 -38.52 80.22 Favored 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 116.545 2.054 . . . . 100.0 116.545 -179.404 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 . . . . . 0 N--CA 1.437 -1.093 0 CA-C-O 122.528 1.156 . . . . 100.0 111.648 -178.302 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.388 0 N-CA-C 110.052 -1.219 . . . . 100.0 110.052 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.05 152.63 47.72 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 113.419 -1.39 . . . . 100.0 108.554 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.9 m -84.4 83.21 8.07 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 106.004 -1.85 . . . . 100.0 106.004 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.66 141.72 46.11 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 104.123 -2.547 . . . . 100.0 104.123 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.86 128.55 36.41 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 115.267 -0.879 . . . . 100.0 110.701 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.05 28.76 18.13 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 113.001 -1.909 . . . . 100.0 112.78 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.5 p 51.63 43.4 29.85 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 126.84 2.056 . . . . 100.0 113.063 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -73.25 138.59 45.64 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 107.851 -1.166 . . . . 100.0 107.851 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.23 36.23 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 106.976 -1.49 . . . . 100.0 106.976 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.62 -42.0 99.33 Favored 'General case' 0 N--CA 1.437 -1.117 0 N-CA-C 117.594 2.442 . . . . 100.0 117.594 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.402 ' HG2' HG21 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.28 157.24 38.45 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-O 122.408 1.099 . . . . 100.0 113.431 -177.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -81.72 87.24 6.33 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 113.972 -1.467 . . . . 100.0 109.243 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.425 HD13 ' HB2' ' A' ' 20' ' ' PHE . 2.2 pp -84.02 -10.99 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 N-CA-C 119.541 3.163 . . . . 100.0 119.541 -178.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.17 147.34 52.52 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 119.824 1.193 . . . . 100.0 109.199 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.524 ' HB2' ' HH ' ' A' ' 45' ' ' TYR . . . -59.74 -42.09 92.39 Favored 'General case' 0 CA--C 1.497 -1.089 0 C-N-CA 125.279 1.432 . . . . 100.0 113.13 -176.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.5 m80 -63.01 -42.27 99.79 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 117.258 -1.353 . . . . 100.0 112.914 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.02 -47.98 0.0 OUTLIER 'General case' 0 C--N 1.376 1.759 0 O-C-N 124.655 1.222 . . . . 100.0 113.227 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.537 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.71 -179.11 7.09 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 116.347 1.98 . . . . 100.0 116.347 -176.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 20' ' ' PHE . 86.0 m -72.51 164.87 25.72 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 119.833 -1.792 . . . . 100.0 109.282 -178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.425 ' HB2' HD13 ' A' ' 13' ' ' ILE . 84.5 t80 -60.1 -42.66 95.15 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 126.776 2.03 . . . . 100.0 108.028 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.15 -38.96 92.95 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 125.936 1.695 . . . . 100.0 110.428 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -90.97 12.08 20.79 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 126.559 1.944 . . . . 100.0 112.283 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.51 89.04 Favored Pre-proline 0 N--CA 1.44 -0.939 0 CA-C-O 115.408 -2.234 . . . . 100.0 113.331 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.21 -33.77 98.16 Favored 'Trans proline' 0 C--N 1.38 2.186 0 CA-C-N 124.071 2.49 . . . . 100.0 112.452 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.06 -23.59 64.98 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 124.137 0.975 . . . . 100.0 112.552 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.2 m -61.06 -35.91 78.2 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 125.069 1.348 . . . . 100.0 110.398 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.4 m -60.76 -38.4 85.12 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 125.068 1.347 . . . . 100.0 110.607 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.43 139.05 57.08 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 106.779 -1.563 . . . . 100.0 106.779 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.5 15.13 18.66 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 114.566 1.321 . . . . 100.0 114.566 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -59.52 -44.29 93.19 Favored 'General case' 0 CA--C 1.5 -0.97 0 C-N-CA 123.052 0.541 . . . . 100.0 111.891 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -64.25 -41.08 97.12 Favored 'General case' 0 N--CA 1.433 -1.287 0 C-N-CA 123.891 0.876 . . . . 100.0 112.169 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -64.07 -40.67 96.76 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.925 0.89 . . . . 100.0 112.207 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -68.29 150.82 47.78 Favored 'General case' 0 CA--C 1.5 -0.943 0 C-N-CA 124.441 1.096 . . . . 100.0 111.156 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.47 4.21 70.91 Favored Glycine 0 C--N 1.354 1.541 0 CA-C-O 118.907 -0.94 . . . . 100.0 113.468 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -98.25 151.26 20.65 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-N 118.577 1.189 . . . . 100.0 110.56 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -59.0 -50.17 75.12 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 115.687 1.736 . . . . 100.0 115.687 -175.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 68' ' ' PHE . 65.6 tp -140.48 127.96 21.4 Favored 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 118.047 -1.461 . . . . 100.0 108.602 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.23 -39.43 92.73 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 125.116 1.366 . . . . 100.0 111.693 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.96 -23.75 67.56 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.579 1.552 . . . . 100.0 113.145 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.459 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 85.9 t80 -60.99 132.13 52.87 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-O 121.536 0.684 . . . . 100.0 109.814 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -83.27 121.21 26.82 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 114.702 -1.136 . . . . 100.0 110.843 -176.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . 0.31 14.9 pt-20 -152.86 -166.97 2.6 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 126.049 1.739 . . . . 100.0 109.114 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -58.8 -46.21 88.11 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 114.096 1.147 . . . . 100.0 114.096 -176.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -73.45 159.51 33.12 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 112.404 0.52 . . . . 100.0 112.404 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.524 ' HH ' ' HB2' ' A' ' 15' ' ' ALA . 94.3 m-85 -78.37 127.32 81.28 Favored Pre-proline 0 N--CA 1.438 -1.044 0 CA-C-N 115.581 -0.736 . . . . 100.0 109.401 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -59.46 -34.17 97.24 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 124.336 3.357 . . . . 100.0 113.775 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 88.7 tt0 -74.46 128.09 34.69 Favored 'General case' 0 CA--C 1.497 -1.06 0 N-CA-C 107.022 -1.473 . . . . 100.0 107.022 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -102.53 130.78 49.47 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 122.061 0.934 . . . . 100.0 109.571 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.48 -45.78 91.47 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 113.989 -1.459 . . . . 100.0 112.201 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.34 -42.34 96.3 Favored 'General case' 0 CA--C 1.499 -1.003 0 C-N-CA 123.816 0.846 . . . . 100.0 113.193 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.544 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 69.9 p -85.45 86.48 7.37 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-O 121.97 0.891 . . . . 100.0 110.501 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -91.49 105.25 17.62 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 106.849 -1.537 . . . . 100.0 106.849 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.65 -10.94 63.05 Favored Glycine 0 N--CA 1.434 -1.498 0 CA-C-N 113.745 -1.57 . . . . 100.0 113.586 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.544 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 20.5 mm-40 -68.48 -43.32 77.21 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 118.651 1.225 . . . . 100.0 110.375 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -63.99 -46.14 85.92 Favored 'General case' 0 CA--C 1.499 -1.016 0 C-N-CA 124.01 0.924 . . . . 100.0 110.385 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.2 t70 52.92 41.85 32.03 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 127.246 2.218 . . . . 100.0 110.861 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.1 t -103.85 -48.01 10.17 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 N-CA-C 105.843 -1.91 . . . . 100.0 105.843 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.443 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.374 42.7 m-85 -65.02 -38.01 89.52 Favored 'General case' 0 CA--C 1.489 -1.374 0 N-CA-C 116.928 2.195 . . . . 100.0 116.928 -178.768 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -61.32 -48.68 90.6 Favored Pre-proline 0 C--N 1.358 0.977 0 CA-C-O 116.888 -1.529 . . . . 100.0 111.473 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -77.45 -18.31 13.96 Favored 'Trans proline' 0 C--N 1.378 2.082 0 CA-C-N 122.451 1.911 . . . . 100.0 113.376 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.7 t70 53.35 45.58 28.13 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 126.732 2.013 . . . . 100.0 112.302 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.5 tp -112.95 124.95 53.79 Favored 'General case' 0 N--CA 1.432 -1.328 0 N-CA-C 105.755 -1.943 . . . . 100.0 105.755 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -113.16 124.1 51.76 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 104.263 -2.495 . . . . 100.0 104.263 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.6 mtm -114.92 115.36 26.79 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 106.417 -1.698 . . . . 100.0 106.417 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.464 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 51.0 mt-10 -64.04 -42.38 97.09 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-N 113.966 -1.47 . . . . 100.0 112.314 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.3 t -61.66 -43.88 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.825 0 C-N-CA 125.094 1.357 . . . . 100.0 110.432 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.58 -48.23 89.2 Favored 'Isoleucine or valine' 0 C--N 1.36 1.049 0 CA-C-O 118.593 -0.718 . . . . 100.0 111.069 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.464 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.444 21.5 p90 -69.72 -39.26 76.96 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 116.003 1.853 . . . . 100.0 116.003 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 . . . . . 0 N--CA 1.44 -0.941 0 CA-C-O 122.312 1.053 . . . . 100.0 110.939 -179.058 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.38 0 N-CA-C 110.009 -1.237 . . . . 100.0 110.009 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.04 152.62 47.73 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 113.46 -1.37 . . . . 100.0 108.558 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.5 m -84.38 83.22 8.07 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 105.994 -1.854 . . . . 100.0 105.994 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.68 141.69 46.16 Favored 'General case' 0 N--CA 1.427 -1.621 0 N-CA-C 104.133 -2.543 . . . . 100.0 104.133 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.55 36.42 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.281 -0.872 . . . . 100.0 110.73 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.14 28.66 18.02 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 113.038 -1.892 . . . . 100.0 112.731 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.8 p 51.73 43.37 30.01 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 126.8 2.04 . . . . 100.0 113.056 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -73.21 138.58 45.7 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 107.83 -1.174 . . . . 100.0 107.83 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -77.98 130.18 36.2 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 107.009 -1.478 . . . . 100.0 107.009 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.63 -42.05 99.37 Favored 'General case' 0 CA--C 1.494 -1.177 0 N-CA-C 117.586 2.439 . . . . 100.0 117.586 -177.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.25 15.5 pm0 -71.19 157.23 38.51 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 122.382 1.087 . . . . 100.0 113.435 -177.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -81.79 87.32 6.35 Favored 'General case' 0 N--CA 1.431 -1.403 0 CA-C-N 113.935 -1.484 . . . . 100.0 109.177 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.423 HD11 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.06 -11.01 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 N-CA-C 119.548 3.166 . . . . 100.0 119.548 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.6 t -64.14 147.36 52.43 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 119.768 1.167 . . . . 100.0 109.178 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.12 92.28 Favored 'General case' 0 CA--C 1.497 -1.079 0 C-N-CA 125.324 1.45 . . . . 100.0 113.119 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.8 m80 -62.99 -42.31 99.81 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-O 117.253 -1.356 . . . . 100.0 112.918 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 p 164.05 -47.99 0.0 OUTLIER 'General case' 0 C--N 1.377 1.785 0 O-C-N 124.765 1.291 . . . . 100.0 113.215 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.529 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.68 -179.13 7.09 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 116.35 1.981 . . . . 100.0 116.35 -176.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 20' ' ' PHE . 84.8 m -72.48 164.87 25.69 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 119.841 -1.787 . . . . 100.0 109.258 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' HD13 ' A' ' 13' ' ' ILE . 84.5 t80 -60.12 -42.69 95.29 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 126.81 2.044 . . . . 100.0 107.994 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.17 -38.91 92.74 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.955 1.702 . . . . 100.0 110.431 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -91.01 12.12 20.77 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 126.562 1.945 . . . . 100.0 112.276 -178.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.86 -41.58 89.41 Favored Pre-proline 0 N--CA 1.441 -0.89 0 CA-C-O 115.392 -2.242 . . . . 100.0 113.283 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.15 -33.78 98.36 Favored 'Trans proline' 0 C--N 1.379 2.174 0 CA-C-N 124.094 2.498 . . . . 100.0 112.442 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.15 -23.51 64.88 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.101 0.96 . . . . 100.0 112.512 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.0 m -61.05 -35.87 78.08 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 125.028 1.331 . . . . 100.0 110.459 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.81 -38.34 85.07 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.028 1.331 . . . . 100.0 110.557 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.5 139.05 56.99 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 106.758 -1.571 . . . . 100.0 106.758 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.403 HD23 ' H ' ' A' ' 49' ' ' LEU . 8.1 mp -94.43 15.13 18.5 Favored 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 114.601 1.334 . . . . 100.0 114.601 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.43 -43.22 96.99 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 125.897 1.679 . . . . 100.0 110.74 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -63.84 -38.77 92.34 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 125.919 1.688 . . . . 100.0 110.131 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.783 ' HA ' ' HE1' ' A' ' 44' ' ' TRP . 70.6 mtt180 -61.82 -41.48 97.84 Favored 'General case' 0 CA--C 1.494 -1.2 0 C-N-CA 124.166 0.987 . . . . 100.0 111.803 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -65.93 147.57 53.16 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.39 -0.967 . . . . 100.0 108.39 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.1 -6.92 64.19 Favored Glycine 0 C--N 1.348 1.237 0 CA-C-O 118.538 -1.146 . . . . 100.0 113.23 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -88.24 138.06 31.78 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 118.802 1.301 . . . . 100.0 108.774 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -61.02 -48.62 80.94 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 124.615 1.166 . . . . 100.0 113.502 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -129.83 125.36 35.51 Favored 'General case' 0 CA--C 1.481 -1.694 0 CA-C-N 118.576 0.625 . . . . 100.0 110.466 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.6 mt -66.6 -39.38 88.34 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 124.435 1.094 . . . . 100.0 109.546 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.77 -23.11 67.05 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 126.507 1.923 . . . . 100.0 114.35 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -61.06 129.42 41.27 Favored 'General case' 0 C--N 1.366 1.304 0 N-CA-C 108.337 -0.986 . . . . 100.0 108.337 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -86.13 126.03 33.92 Favored 'General case' 0 CA--C 1.488 -1.415 0 N-CA-C 114.611 1.337 . . . . 100.0 114.611 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HG3' ' HB3' ' A' ' 44' ' ' TRP . 10.9 pt-20 -157.75 -172.92 4.14 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 126.337 1.855 . . . . 100.0 108.568 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.84 -40.48 92.98 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 124.247 1.019 . . . . 100.0 111.657 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.783 ' HE1' ' HA ' ' A' ' 32' ' ' ARG 0.34 74.5 t90 -57.58 137.52 56.26 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 130.46 3.504 . . . . 100.0 106.303 178.519 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -79.56 121.06 82.19 Favored Pre-proline 0 C--N 1.359 0.988 0 N-CA-C 112.213 0.449 . . . . 100.0 112.213 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -60.03 -37.01 87.59 Favored 'Trans proline' 0 C--N 1.372 1.804 0 C-N-CA 124.663 3.575 . . . . 100.0 114.843 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -78.51 128.4 33.51 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 106.522 -1.658 . . . . 100.0 106.522 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' HA ' HH11 ' A' ' 32' ' ' ARG . 57.0 mt-10 -100.2 131.15 46.31 Favored 'General case' 0 N--CA 1.432 -1.344 0 O-C-N 124.275 0.984 . . . . 100.0 110.22 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.403 ' H ' HD23 ' A' ' 29' ' ' LEU . 73.3 mt -62.86 -44.87 94.98 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 125.098 1.359 . . . . 100.0 112.417 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.38 -44.11 95.68 Favored 'General case' 0 CA--C 1.501 -0.938 0 C-N-CA 124.108 0.963 . . . . 100.0 112.99 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.541 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 26.4 p -87.21 83.21 7.44 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 121.967 0.889 . . . . 100.0 109.102 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -88.74 102.99 15.55 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 108.094 -1.076 . . . . 100.0 108.094 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.08 -11.06 63.72 Favored Glycine 0 N--CA 1.436 -1.36 0 CA-C-N 114.53 -1.213 . . . . 100.0 113.253 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.541 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 63.0 mm-40 -69.83 -41.49 74.89 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 118.47 1.135 . . . . 100.0 110.597 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -62.39 -46.86 86.69 Favored 'General case' 0 CA--C 1.498 -1.036 0 C-N-CA 124.494 1.118 . . . . 100.0 109.413 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.6 t0 52.5 40.24 29.37 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 127.945 2.498 . . . . 100.0 110.743 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -103.88 -47.75 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.908 0 N-CA-C 105.82 -1.918 . . . . 100.0 105.82 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.352 45.6 m-85 -64.45 -38.7 91.93 Favored 'General case' 0 CA--C 1.487 -1.473 0 N-CA-C 116.849 2.166 . . . . 100.0 116.849 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.425 ' HB2' ' HD3' ' A' ' 60' ' ' PRO . 60.2 m-20 -62.0 -48.0 89.61 Favored Pre-proline 0 C--N 1.358 0.943 0 CA-C-O 117.219 -1.372 . . . . 100.0 110.795 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' A' ' 59' ' ' ASP . 33.1 Cg_exo -71.01 -25.81 22.43 Favored 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 122.12 1.88 . . . . 100.0 113.173 177.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t70 54.66 43.44 30.17 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 127.163 2.185 . . . . 100.0 111.268 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.7 tp -111.87 127.26 55.78 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 106.091 -1.818 . . . . 100.0 106.091 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -110.53 129.2 55.85 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 107.275 -1.38 . . . . 100.0 107.275 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 94.2 mmm -111.62 105.01 13.43 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 103.314 -2.847 . . . . 100.0 103.314 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.482 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 51.3 mt-10 -63.12 -42.95 99.64 Favored 'General case' 0 CA--C 1.492 -1.276 0 N-CA-C 114.767 1.395 . . . . 100.0 114.767 -178.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.6 t -62.24 -42.95 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 C-N-CA 124.516 1.127 . . . . 100.0 109.684 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.1 t -62.26 -49.16 85.1 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 CA-C-O 118.042 -0.98 . . . . 100.0 110.858 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.482 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.379 10.2 p90 -69.15 -38.35 78.74 Favored 'General case' 0 C--N 1.362 1.111 0 N-CA-C 115.13 1.529 . . . . 100.0 115.13 -179.483 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 N--CA 1.435 -1.197 0 CA-C-O 122.998 1.38 . . . . 100.0 112.31 -178.077 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.339 0 N-CA-C 109.992 -1.243 . . . . 100.0 109.992 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.07 152.6 47.78 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 113.43 -1.385 . . . . 100.0 108.582 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 83.3 m -84.44 83.31 8.04 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 105.956 -1.868 . . . . 100.0 105.956 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.75 141.72 46.22 Favored 'General case' 0 N--CA 1.427 -1.619 0 N-CA-C 104.12 -2.548 . . . . 100.0 104.12 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.57 36.54 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 115.301 -0.863 . . . . 100.0 110.741 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.05 28.73 18.09 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 113.033 -1.894 . . . . 100.0 112.771 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.2 p 51.65 43.41 29.87 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 126.797 2.039 . . . . 100.0 113.063 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.27 138.6 45.6 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 107.808 -1.182 . . . . 100.0 107.808 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.01 130.14 36.13 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 106.971 -1.492 . . . . 100.0 106.971 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.58 -42.02 99.3 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 117.624 2.453 . . . . 100.0 117.624 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.25 15.5 pm0 -71.15 157.21 38.55 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-O 122.378 1.085 . . . . 100.0 113.43 -177.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.75 87.19 6.34 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 113.974 -1.466 . . . . 100.0 109.255 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.425 HD11 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.06 -10.93 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 119.56 3.17 . . . . 100.0 119.56 -178.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.1 147.35 52.41 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-N 119.816 1.189 . . . . 100.0 109.198 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.06 92.16 Favored 'General case' 0 CA--C 1.497 -1.085 0 C-N-CA 125.261 1.424 . . . . 100.0 113.167 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.6 m80 -63.08 -42.23 99.59 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 117.254 -1.355 . . . . 100.0 112.93 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.05 -48.02 0.0 OUTLIER 'General case' 0 C--N 1.376 1.76 0 O-C-N 124.713 1.258 . . . . 100.0 113.192 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.53 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.5 mtt -80.67 -179.18 7.11 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 116.314 1.968 . . . . 100.0 116.314 -176.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 20' ' ' PHE . 83.1 m -72.39 164.84 25.68 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 119.747 -1.845 . . . . 100.0 109.296 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' HD13 ' A' ' 13' ' ' ILE . 84.5 t80 -60.13 -42.63 95.2 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 126.834 2.053 . . . . 100.0 108.018 178.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.22 -38.92 92.78 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.896 1.678 . . . . 100.0 110.385 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -91.0 12.14 20.65 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 126.56 1.944 . . . . 100.0 112.253 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.82 -41.64 89.79 Favored Pre-proline 0 N--CA 1.441 -0.91 0 CA-C-O 115.424 -2.227 . . . . 100.0 113.26 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -59.17 -33.79 98.31 Favored 'Trans proline' 0 C--N 1.38 2.193 0 CA-C-N 124.056 2.484 . . . . 100.0 112.457 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.06 -23.53 64.97 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 124.119 0.968 . . . . 100.0 112.582 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.53 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.5 m -61.07 -35.88 78.13 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 125.058 1.343 . . . . 100.0 110.374 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.86 -38.38 85.36 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.097 1.359 . . . . 100.0 110.551 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.43 139.07 57.09 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 106.807 -1.553 . . . . 100.0 106.807 177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.47 14.82 19.5 Favored 'General case' 0 N--CA 1.434 -1.275 0 N-CA-C 114.577 1.325 . . . . 100.0 114.577 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.58 -42.1 95.99 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 125.78 1.632 . . . . 100.0 110.939 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -62.04 -43.56 98.57 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 125.357 1.463 . . . . 100.0 110.999 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -63.6 -39.94 95.67 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 124.351 1.061 . . . . 100.0 111.608 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -66.03 149.04 50.87 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 124.183 0.993 . . . . 100.0 109.868 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.34 4.4 66.33 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 119.035 -0.869 . . . . 100.0 113.493 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -99.38 144.48 28.44 Favored 'General case' 0 CA--C 1.493 -1.234 0 CA-C-N 118.139 0.97 . . . . 100.0 110.367 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -59.87 -49.23 78.51 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 125.353 1.461 . . . . 100.0 114.042 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.0 mt -131.91 121.91 24.78 Favored 'General case' 0 CA--C 1.485 -1.552 0 CA-C-N 118.785 0.72 . . . . 100.0 110.441 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.96 -37.64 81.81 Favored 'General case' 0 CA--C 1.499 -1.018 0 C-N-CA 124.217 1.007 . . . . 100.0 110.59 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.59 -24.7 67.7 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 126.498 1.919 . . . . 100.0 112.667 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.486 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 75.3 t80 -61.85 134.1 56.29 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 123.298 0.639 . . . . 100.0 110.45 -178.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -78.83 121.7 25.14 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-O 122.577 1.18 . . . . 100.0 110.742 -177.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -149.46 -177.94 6.14 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 126.849 2.06 . . . . 100.0 107.923 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -61.67 -42.51 99.02 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 124.587 1.155 . . . . 100.0 110.571 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.9 p90 -68.37 154.18 42.3 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-O 121.011 0.434 . . . . 100.0 110.622 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -78.22 124.85 85.73 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-N 115.88 -0.6 . . . . 100.0 109.856 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -59.5 -35.0 96.99 Favored 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 124.646 3.564 . . . . 100.0 114.113 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -75.37 128.56 35.64 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 107.219 -1.401 . . . . 100.0 107.219 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -104.01 129.96 51.65 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 123.669 0.606 . . . . 100.0 110.442 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.2 mt -63.58 -44.23 94.66 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 124.359 1.064 . . . . 100.0 112.439 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.57 -45.01 94.9 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 123.752 0.821 . . . . 100.0 113.208 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.446 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 52.6 p -88.41 84.43 6.82 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 121.757 0.789 . . . . 100.0 109.33 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -93.44 107.95 19.71 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 106.974 -1.491 . . . . 100.0 106.974 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.97 -12.21 62.64 Favored Glycine 0 N--CA 1.432 -1.575 0 CA-C-N 113.576 -1.647 . . . . 100.0 112.717 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.446 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 81.3 mt-10 -71.41 -42.19 68.64 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 118.987 1.393 . . . . 100.0 111.802 178.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -65.11 -41.82 94.57 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-O 118.923 -0.561 . . . . 100.0 112.354 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . 0.281 71.3 m-20 52.71 42.85 31.8 Favored 'General case' 0 C--N 1.364 1.234 0 N-CA-C 114.229 1.196 . . . . 100.0 114.229 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.4 t -104.92 -50.36 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 105.285 -2.117 . . . . 100.0 105.285 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.313 42.7 m-85 -65.72 -38.92 90.49 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.42 2.008 . . . . 100.0 116.42 -178.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -62.24 -47.94 88.75 Favored Pre-proline 0 C--N 1.358 0.952 0 CA-C-O 117.156 -1.402 . . . . 100.0 112.816 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -76.55 -15.4 17.45 Favored 'Trans proline' 0 C--N 1.377 2.056 0 CA-C-N 121.92 1.722 . . . . 100.0 114.318 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 54.38 44.5 28.82 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 124.94 1.296 . . . . 100.0 113.552 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.31 125.24 49.84 Favored 'General case' 0 CA--C 1.494 -1.198 0 N-CA-C 106.999 -1.482 . . . . 100.0 106.999 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -113.34 117.56 32.13 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 103.121 -2.918 . . . . 100.0 103.121 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.4 mtm -120.14 108.91 14.81 Favored 'General case' 0 N--CA 1.432 -1.352 0 N-CA-C 106.094 -1.817 . . . . 100.0 106.094 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.485 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 50.2 mt-10 -64.09 -41.13 97.4 Favored 'General case' 0 CA--C 1.493 -1.235 0 CA-C-N 114.383 -1.28 . . . . 100.0 112.866 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.51 -44.12 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 C-N-CA 124.591 1.156 . . . . 100.0 110.14 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.18 -48.72 87.12 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 CA-C-O 118.383 -0.818 . . . . 100.0 111.163 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.486 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.388 15.7 p90 -69.51 -38.7 77.71 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 115.142 1.534 . . . . 100.0 115.142 -179.584 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 . . . . . 0 N--CA 1.436 -1.146 0 CA-C-O 122.896 1.331 . . . . 100.0 113.206 -178.407 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.362 0 N-CA-C 110.06 -1.216 . . . . 100.0 110.06 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -128.04 152.58 47.78 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 113.429 -1.386 . . . . 100.0 108.546 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.3 m -84.4 83.28 8.05 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 105.952 -1.87 . . . . 100.0 105.952 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.73 141.67 46.25 Favored 'General case' 0 N--CA 1.427 -1.593 0 N-CA-C 104.154 -2.536 . . . . 100.0 104.154 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.57 36.51 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 115.321 -0.854 . . . . 100.0 110.749 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.09 28.66 18.0 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 113.076 -1.875 . . . . 100.0 112.777 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.9 p 51.71 43.39 29.96 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.846 2.058 . . . . 100.0 113.048 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.28 138.57 45.57 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 107.837 -1.171 . . . . 100.0 107.837 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.03 130.21 36.2 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 107.0 -1.482 . . . . 100.0 107.0 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -62.56 -42.06 99.3 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 117.618 2.451 . . . . 100.0 117.618 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -71.28 157.27 38.41 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-O 122.399 1.095 . . . . 100.0 113.403 -177.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -81.78 87.25 6.35 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 113.916 -1.493 . . . . 100.0 109.198 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.429 HD11 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.07 -10.95 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 N-CA-C 119.5 3.148 . . . . 100.0 119.5 -178.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.06 147.34 52.38 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 119.872 1.214 . . . . 100.0 109.22 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.07 92.46 Favored 'General case' 0 CA--C 1.497 -1.095 0 C-N-CA 125.24 1.416 . . . . 100.0 113.145 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.509 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -63.01 -42.28 99.77 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 117.291 -1.337 . . . . 100.0 112.914 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 p 164.05 -48.06 0.0 OUTLIER 'General case' 0 C--N 1.377 1.782 0 O-C-N 124.691 1.244 . . . . 100.0 113.215 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.528 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.65 -179.15 7.09 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 116.357 1.984 . . . . 100.0 116.357 -176.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 20' ' ' PHE . 84.5 m -72.5 164.83 25.77 Favored 'General case' 0 C--N 1.36 1.023 0 O-C-N 119.818 -1.801 . . . . 100.0 109.266 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.423 ' HB2' HD13 ' A' ' 13' ' ' ILE . 84.4 t80 -60.06 -42.65 94.98 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 126.811 2.044 . . . . 100.0 108.029 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.23 -38.9 92.69 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.932 1.693 . . . . 100.0 110.391 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -90.99 12.06 20.91 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 126.541 1.937 . . . . 100.0 112.251 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -58.81 -41.57 89.41 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-O 115.432 -2.223 . . . . 100.0 113.318 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.21 -33.75 98.16 Favored 'Trans proline' 0 C--N 1.379 2.182 0 CA-C-N 124.065 2.487 . . . . 100.0 112.469 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.14 -23.5 64.89 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 124.134 0.973 . . . . 100.0 112.539 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.528 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.3 m -61.04 -35.9 78.14 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 125.032 1.333 . . . . 100.0 110.402 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.89 -38.27 85.1 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 124.999 1.319 . . . . 100.0 110.567 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.49 139.05 57.01 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 106.753 -1.573 . . . . 100.0 106.753 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.45 11.35 31.03 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 114.596 1.332 . . . . 100.0 114.596 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -61.83 -38.92 89.98 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 113.449 0.907 . . . . 100.0 113.449 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -61.95 -42.34 99.0 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 124.178 0.991 . . . . 100.0 110.072 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -63.51 -39.96 95.8 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 124.214 1.006 . . . . 100.0 111.086 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -68.33 152.54 45.28 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.395 0.678 . . . . 100.0 110.001 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.88 6.3 63.67 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 115.791 -0.64 . . . . 100.0 112.202 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -103.89 144.67 31.21 Favored 'General case' 0 CA--C 1.494 -1.178 0 CA-C-O 121.628 0.728 . . . . 100.0 109.291 177.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -60.06 -49.22 78.5 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.373 1.469 . . . . 100.0 113.897 -177.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -132.84 125.2 29.47 Favored 'General case' 0 CA--C 1.486 -1.493 0 CA-C-N 118.93 0.786 . . . . 100.0 110.01 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.83 -38.1 85.79 Favored 'General case' 0 CA--C 1.498 -1.05 0 C-N-CA 124.715 1.206 . . . . 100.0 110.393 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.75 -25.02 67.99 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 126.795 2.038 . . . . 100.0 112.902 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -62.12 131.63 50.16 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 123.955 0.902 . . . . 100.0 109.098 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -82.9 123.75 29.69 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 122.325 1.06 . . . . 100.0 112.573 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -148.48 -171.8 3.93 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 127.652 2.381 . . . . 100.0 107.967 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.3 -43.5 96.25 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 125.17 1.388 . . . . 100.0 111.895 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 29.7 p90 -69.95 156.75 38.65 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 122.822 0.449 . . . . 100.0 110.71 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -78.29 124.63 85.67 Favored Pre-proline 0 N--CA 1.443 -0.825 0 N-CA-C 108.979 -0.748 . . . . 100.0 108.979 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -59.35 -36.19 94.92 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 124.386 3.39 . . . . 100.0 113.629 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.477 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.7 tt0 -79.22 127.72 32.4 Favored 'General case' 0 CA--C 1.495 -1.142 0 N-CA-C 105.32 -2.104 . . . . 100.0 105.32 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -98.72 129.63 45.18 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-O 121.983 0.897 . . . . 100.0 109.706 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.59 -47.38 85.73 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 125.658 1.583 . . . . 100.0 113.616 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.3 -40.86 90.28 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 113.347 0.869 . . . . 100.0 113.347 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.53 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 60.7 p -84.64 83.21 8.1 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-O 121.836 0.827 . . . . 100.0 109.629 -178.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -90.89 106.17 18.33 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 106.478 -1.675 . . . . 100.0 106.478 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.35 -12.76 61.82 Favored Glycine 0 N--CA 1.434 -1.493 0 CA-C-N 113.96 -1.473 . . . . 100.0 113.732 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.53 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 64.8 mt-10 -69.79 -42.18 74.1 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 118.465 1.133 . . . . 100.0 111.029 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -63.84 -43.69 95.41 Favored 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 124.258 1.023 . . . . 100.0 110.903 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.2 t70 53.87 43.04 31.49 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.552 1.941 . . . . 100.0 111.558 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.6 t -102.85 -48.43 10.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 N-CA-C 104.833 -2.284 . . . . 100.0 104.833 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.384 25.5 m-85 -64.52 -38.21 90.24 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 116.532 2.049 . . . . 100.0 116.532 -179.217 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' HB2' ' HD3' ' A' ' 60' ' ' PRO . 49.9 m-20 -62.06 -47.83 89.8 Favored Pre-proline 0 C--N 1.36 1.038 0 CA-C-O 116.967 -1.492 . . . . 100.0 111.2 178.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.427 ' HD3' ' HB2' ' A' ' 59' ' ' ASP . 32.3 Cg_exo -68.23 -25.32 36.92 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.611 2.207 . . . . 100.0 112.449 177.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 55.81 41.11 30.55 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 127.258 2.223 . . . . 100.0 111.93 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.6 tp -119.07 127.47 53.42 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 106.869 -1.53 . . . . 100.0 106.869 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -112.42 120.91 43.27 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 103.015 -2.958 . . . . 100.0 103.015 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 69.1 mtm -114.11 111.4 21.54 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 106.287 -1.746 . . . . 100.0 106.287 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.499 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 75.7 mt-10 -64.32 -40.52 96.08 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 114.392 -1.276 . . . . 100.0 112.968 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.38 -43.42 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 C-N-CA 124.828 1.251 . . . . 100.0 109.983 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.8 t -61.97 -47.73 91.85 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 CA-C-O 118.798 -0.62 . . . . 100.0 110.988 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.499 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.414 23.9 p90 -69.59 -38.05 77.17 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 115.3 1.593 . . . . 100.0 115.3 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 N--CA 1.441 -0.879 0 CA-C-O 122.448 1.118 . . . . 100.0 111.731 -178.214 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.359 0 N-CA-C 110.013 -1.235 . . . . 100.0 110.013 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.07 152.63 47.74 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 113.4 -1.4 . . . . 100.0 108.568 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.3 m -84.42 83.26 8.05 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 105.981 -1.859 . . . . 100.0 105.981 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.73 141.71 46.2 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 104.117 -2.549 . . . . 100.0 104.117 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.82 128.57 36.52 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 115.278 -0.874 . . . . 100.0 110.779 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.06 28.66 18.0 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 113.082 -1.872 . . . . 100.0 112.822 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.1 p 51.68 43.44 29.89 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 126.832 2.053 . . . . 100.0 113.028 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.0 m -73.3 138.55 45.52 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 107.813 -1.18 . . . . 100.0 107.813 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.22 36.21 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 106.991 -1.485 . . . . 100.0 106.991 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -62.61 -41.99 99.32 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 117.627 2.455 . . . . 100.0 117.627 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.25 15.5 pm0 -71.2 157.24 38.49 Favored 'General case' 0 CA--C 1.498 -1.056 0 CA-C-O 122.39 1.09 . . . . 100.0 113.419 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -81.78 87.26 6.35 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 113.964 -1.471 . . . . 100.0 109.238 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.421 HD13 ' HB2' ' A' ' 20' ' ' PHE . 2.2 pp -84.02 -11.04 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 N-CA-C 119.548 3.166 . . . . 100.0 119.548 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.08 147.33 52.42 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 119.79 1.177 . . . . 100.0 109.186 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.06 92.12 Favored 'General case' 0 CA--C 1.497 -1.095 0 C-N-CA 125.262 1.425 . . . . 100.0 113.184 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.504 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -63.13 -42.21 99.47 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 117.253 -1.356 . . . . 100.0 112.909 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.3 p 164.01 -47.97 0.0 OUTLIER 'General case' 0 C--N 1.376 1.759 0 O-C-N 124.666 1.229 . . . . 100.0 113.279 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.529 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.5 mtt -80.73 -179.15 7.12 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 116.35 1.981 . . . . 100.0 116.35 -176.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 20' ' ' PHE . 83.9 m -72.4 164.87 25.64 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 119.773 -1.829 . . . . 100.0 109.292 -178.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.421 ' HB2' HD13 ' A' ' 13' ' ' ILE . 84.5 t80 -60.16 -42.62 95.32 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 126.823 2.049 . . . . 100.0 108.01 178.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.21 -38.92 92.78 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.937 1.695 . . . . 100.0 110.417 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -91.04 12.19 20.59 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.523 1.929 . . . . 100.0 112.265 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.9 -41.54 89.16 Favored Pre-proline 0 N--CA 1.441 -0.912 0 CA-C-O 115.375 -2.25 . . . . 100.0 113.311 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.2 -33.77 98.19 Favored 'Trans proline' 0 C--N 1.378 2.13 0 CA-C-N 124.085 2.495 . . . . 100.0 112.455 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.09 -23.55 64.94 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 124.104 0.961 . . . . 100.0 112.562 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 92.8 m -61.01 -35.9 78.09 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 124.98 1.312 . . . . 100.0 110.455 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.81 -38.34 85.07 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 125.044 1.338 . . . . 100.0 110.58 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.46 139.12 57.04 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 106.768 -1.567 . . . . 100.0 106.768 177.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.54 11.69 30.03 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 114.548 1.314 . . . . 100.0 114.548 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -60.75 -41.08 94.7 Favored 'General case' 0 CA--C 1.501 -0.917 0 C-N-CA 124.493 1.117 . . . . 100.0 111.725 -178.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -63.1 -39.6 95.17 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 125.061 1.344 . . . . 100.0 109.9 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.766 ' HA ' ' HE1' ' A' ' 44' ' ' TRP . 86.2 mtt180 -61.91 -41.83 98.38 Favored 'General case' 0 CA--C 1.493 -1.234 0 C-N-CA 124.325 1.05 . . . . 100.0 112.286 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -66.9 147.26 53.47 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 109.147 -0.686 . . . . 100.0 109.147 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.56 -7.85 68.56 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-O 118.267 -1.296 . . . . 100.0 113.955 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -81.04 149.74 29.13 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 119.247 1.524 . . . . 100.0 110.459 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -60.43 -50.17 74.67 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 113.976 1.102 . . . . 100.0 113.976 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.2 tp -142.04 129.64 21.46 Favored 'General case' 0 CA--C 1.488 -1.438 0 N-CA-C 107.897 -1.149 . . . . 100.0 107.897 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.15 -40.61 96.52 Favored 'General case' 0 CA--C 1.499 -0.988 0 C-N-CA 124.403 1.081 . . . . 100.0 111.507 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.76 -22.5 66.94 Favored 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.838 1.655 . . . . 100.0 114.635 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.502 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 86.7 t80 -60.86 130.58 47.19 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 109.088 -0.708 . . . . 100.0 109.088 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -87.47 123.9 32.87 Favored 'General case' 0 CA--C 1.487 -1.463 0 CA-C-O 122.901 1.334 . . . . 100.0 113.754 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.455 ' HG3' ' HB3' ' A' ' 44' ' ' TRP . 10.7 pt-20 -153.76 -173.3 4.52 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 112.762 -2.017 . . . . 100.0 106.956 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -61.5 -39.78 92.21 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 123.608 0.763 . . . . 100.0 112.063 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.766 ' HE1' ' HA ' ' A' ' 32' ' ' ARG 0.339 64.9 t90 -57.66 137.34 56.54 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 130.446 3.498 . . . . 100.0 106.161 178.342 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -78.31 120.26 80.46 Favored Pre-proline 0 C--N 1.362 1.15 0 N-CA-C 112.686 0.624 . . . . 100.0 112.686 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -60.78 -36.49 84.06 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 124.301 3.334 . . . . 100.0 114.033 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.465 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.8 tt0 -79.9 127.83 32.72 Favored 'General case' 0 CA--C 1.492 -1.256 0 N-CA-C 105.537 -2.023 . . . . 100.0 105.537 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -101.67 130.36 48.01 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 121.642 0.734 . . . . 100.0 109.619 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.8 mt -61.74 -46.38 89.88 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 124.994 1.318 . . . . 100.0 113.002 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.55 -42.73 95.52 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 113.598 0.962 . . . . 100.0 113.598 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.485 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 47.8 p -86.32 82.87 7.84 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 121.8 0.81 . . . . 100.0 110.006 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -92.13 107.08 18.95 Favored 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 106.79 -1.559 . . . . 100.0 106.79 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.95 -13.68 60.63 Favored Glycine 0 N--CA 1.433 -1.508 0 CA-C-N 113.906 -1.497 . . . . 100.0 113.269 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.485 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 91.5 mt-10 -70.71 -40.45 72.82 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 118.987 1.394 . . . . 100.0 110.821 178.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -62.46 -44.85 95.42 Favored 'General case' 0 CA--C 1.498 -1.028 0 C-N-CA 125.202 1.401 . . . . 100.0 111.686 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 54.05 41.06 32.17 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 125.231 1.412 . . . . 100.0 112.171 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.6 t -105.87 -51.65 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 N-CA-C 105.846 -1.909 . . . . 100.0 105.846 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.337 26.1 m-85 -65.41 -38.75 90.87 Favored 'General case' 0 CA--C 1.486 -1.487 0 N-CA-C 116.851 2.167 . . . . 100.0 116.851 -178.787 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -61.69 -48.35 90.04 Favored Pre-proline 0 C--N 1.356 0.884 0 CA-C-O 116.861 -1.542 . . . . 100.0 112.337 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -75.04 -18.12 18.9 Favored 'Trans proline' 0 C--N 1.379 2.158 0 CA-C-N 122.308 1.86 . . . . 100.0 112.984 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 54.11 45.12 28.13 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.314 1.846 . . . . 100.0 111.938 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.0 mt -108.15 127.15 53.56 Favored 'General case' 0 CA--C 1.491 -1.293 0 N-CA-C 107.166 -1.42 . . . . 100.0 107.166 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -113.71 118.8 35.35 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 103.084 -2.932 . . . . 100.0 103.084 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.2 mtm -116.26 112.04 21.02 Favored 'General case' 0 CA--C 1.491 -1.315 0 N-CA-C 105.552 -2.018 . . . . 100.0 105.552 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.447 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 63.7 mt-10 -63.93 -42.35 97.38 Favored 'General case' 0 CA--C 1.493 -1.212 0 CA-C-N 114.072 -1.422 . . . . 100.0 112.89 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.39 -44.6 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 C-N-CA 125.029 1.331 . . . . 100.0 110.401 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.2 t -62.42 -48.64 87.37 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 CA-C-O 118.618 -0.706 . . . . 100.0 111.45 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.502 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.372 8.4 p90 -70.1 -39.18 75.69 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 115.092 1.516 . . . . 100.0 115.092 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 . . . . . 0 N--CA 1.437 -1.113 0 CA-C-O 122.304 1.05 . . . . 100.0 113.777 -177.664 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.41 0 N-CA-C 110.064 -1.214 . . . . 100.0 110.064 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -127.96 152.6 47.7 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 113.415 -1.393 . . . . 100.0 108.589 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.1 m -84.42 83.28 8.05 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 105.991 -1.855 . . . . 100.0 105.991 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.75 141.67 46.28 Favored 'General case' 0 N--CA 1.428 -1.566 0 N-CA-C 104.135 -2.543 . . . . 100.0 104.135 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.81 128.53 36.35 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 115.329 -0.85 . . . . 100.0 110.762 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.04 28.72 18.08 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.045 -1.889 . . . . 100.0 112.776 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.3 p 51.73 43.36 30.02 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 126.816 2.047 . . . . 100.0 113.029 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.26 138.58 45.6 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 107.838 -1.171 . . . . 100.0 107.838 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.19 36.18 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 106.942 -1.503 . . . . 100.0 106.942 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.6 -42.0 99.31 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 117.655 2.465 . . . . 100.0 117.655 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -71.26 157.25 38.44 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-O 122.398 1.094 . . . . 100.0 113.411 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -81.73 87.28 6.33 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 113.913 -1.494 . . . . 100.0 109.216 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.423 HD11 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.09 -10.99 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 N-CA-C 119.499 3.148 . . . . 100.0 119.499 -178.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.11 147.33 52.47 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 119.809 1.186 . . . . 100.0 109.193 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.65 -42.06 91.94 Favored 'General case' 0 CA--C 1.497 -1.087 0 C-N-CA 125.234 1.414 . . . . 100.0 113.203 -176.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.8 m80 -63.07 -42.26 99.63 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-O 117.281 -1.343 . . . . 100.0 112.868 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.01 -48.05 0.0 OUTLIER 'General case' 0 C--N 1.377 1.788 0 O-C-N 124.673 1.233 . . . . 100.0 113.214 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.528 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.3 mtt -80.62 -179.16 7.08 Favored 'General case' 0 CA--C 1.504 -0.817 0 N-CA-C 116.343 1.979 . . . . 100.0 116.343 -176.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 20' ' ' PHE . 84.6 m -72.46 164.88 25.67 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 119.807 -1.808 . . . . 100.0 109.24 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.422 ' HB2' HD13 ' A' ' 13' ' ' ILE . 84.4 t80 -60.1 -42.71 95.26 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 126.873 2.069 . . . . 100.0 107.982 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.15 -38.99 93.06 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 125.955 1.702 . . . . 100.0 110.374 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -90.98 12.15 20.6 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 126.506 1.922 . . . . 100.0 112.277 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -58.84 -41.56 89.33 Favored Pre-proline 0 N--CA 1.44 -0.951 0 CA-C-O 115.432 -2.223 . . . . 100.0 113.328 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -59.22 -33.75 98.1 Favored 'Trans proline' 0 C--N 1.379 2.175 0 CA-C-N 124.081 2.493 . . . . 100.0 112.446 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.07 -23.54 64.96 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 124.138 0.975 . . . . 100.0 112.527 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.528 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.3 m -61.07 -35.9 78.18 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.073 1.349 . . . . 100.0 110.385 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.85 -38.35 85.25 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.063 1.345 . . . . 100.0 110.541 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.49 139.08 57.0 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 106.757 -1.572 . . . . 100.0 106.757 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.46 16.47 15.19 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 114.583 1.327 . . . . 100.0 114.583 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -59.99 -45.0 94.15 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 125.436 1.494 . . . . 100.0 111.812 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -61.76 -44.21 97.35 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.034 1.333 . . . . 100.0 111.452 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -63.66 -39.74 95.09 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 126.333 1.853 . . . . 100.0 111.99 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -69.79 148.67 48.84 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 109.024 -0.732 . . . . 100.0 109.024 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.45 -8.36 69.05 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-O 118.435 -1.203 . . . . 100.0 113.137 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -81.58 142.95 32.33 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 118.927 1.363 . . . . 100.0 109.044 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -61.39 -48.33 81.71 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 124.075 0.95 . . . . 100.0 113.546 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.68 124.3 33.27 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 118.729 0.695 . . . . 100.0 110.617 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.9 -39.25 87.38 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 123.838 0.855 . . . . 100.0 110.169 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.71 -24.64 67.77 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 127.029 2.132 . . . . 100.0 113.522 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.406 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 89.0 t80 -60.47 132.96 55.56 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 123.454 0.701 . . . . 100.0 109.807 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -82.89 121.19 26.64 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.842 -1.072 . . . . 100.0 110.15 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.495 ' HG2' ' H ' ' A' ' 43' ' ' GLU . 30.4 tt0 -149.28 -177.4 5.82 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 104.488 -2.412 . . . . 100.0 104.488 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.495 ' H ' ' HG2' ' A' ' 42' ' ' GLU . 86.9 tt0 -61.46 -42.22 98.44 Favored 'General case' 0 C--N 1.356 0.853 0 O-C-N 121.012 -1.055 . . . . 100.0 111.735 -178.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.8 p-90 -65.87 149.42 50.22 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.427 0.691 . . . . 100.0 111.603 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -73.39 122.4 87.53 Favored Pre-proline 0 C--N 1.357 0.907 0 C-N-CA 123.322 0.649 . . . . 100.0 111.859 -177.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -59.79 -37.16 88.44 Favored 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 124.33 3.353 . . . . 100.0 113.934 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -79.46 127.58 32.29 Favored 'General case' 0 CA--C 1.49 -1.334 0 N-CA-C 105.602 -1.999 . . . . 100.0 105.602 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -102.15 133.0 47.71 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 122.054 0.93 . . . . 100.0 112.379 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.4 mt -62.17 -45.99 90.95 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 125.821 1.648 . . . . 100.0 112.578 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.77 -41.29 97.99 Favored 'General case' 0 CA--C 1.494 -1.198 0 C-N-CA 124.141 0.976 . . . . 100.0 112.399 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.451 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 72.6 p -85.05 88.28 7.45 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-O 121.469 0.652 . . . . 100.0 109.558 -178.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -95.12 99.85 11.76 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 104.409 -2.441 . . . . 100.0 104.409 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.51 -10.85 65.49 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 114.381 -1.281 . . . . 100.0 114.313 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.451 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 46.3 mt-10 -69.96 -42.57 73.0 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 118.772 1.286 . . . . 100.0 111.092 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -64.25 -43.89 93.47 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 124.062 0.945 . . . . 100.0 110.503 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.6 t70 52.61 41.67 31.29 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 127.867 2.467 . . . . 100.0 111.181 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.9 t -103.33 -48.2 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 N-CA-C 105.453 -2.054 . . . . 100.0 105.453 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.391 54.8 m-85 -66.01 -37.71 86.61 Favored 'General case' 0 CA--C 1.488 -1.439 0 N-CA-C 117.427 2.38 . . . . 100.0 117.427 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -61.23 -48.58 91.21 Favored Pre-proline 0 C--N 1.358 0.971 0 CA-C-O 116.814 -1.565 . . . . 100.0 111.128 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -74.73 -20.49 17.49 Favored 'Trans proline' 0 C--N 1.381 2.272 0 CA-C-N 122.302 1.858 . . . . 100.0 112.774 177.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.4 t70 53.47 45.33 28.48 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 127.946 2.498 . . . . 100.0 112.296 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.9 mt -110.75 125.68 53.78 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 105.315 -2.106 . . . . 100.0 105.315 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -111.94 123.64 50.67 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 104.646 -2.353 . . . . 100.0 104.646 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 64.3 mtt -111.47 111.04 21.78 Favored 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 105.52 -2.03 . . . . 100.0 105.52 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.448 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 50.7 mt-10 -63.92 -42.02 97.49 Favored 'General case' 0 CA--C 1.493 -1.216 0 CA-C-N 114.22 -1.355 . . . . 100.0 112.815 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.48 -44.36 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 C-N-CA 124.918 1.287 . . . . 100.0 110.344 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.5 t -62.52 -48.36 88.59 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 CA-C-O 118.017 -0.992 . . . . 100.0 111.169 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.343 6.5 p90 -68.66 -38.07 80.12 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 114.15 1.167 . . . . 100.0 114.15 -179.203 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 . . . . . 0 N--CA 1.436 -1.174 0 CA-C-O 122.838 1.304 . . . . 100.0 113.673 -177.842 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.387 0 N-CA-C 110.045 -1.222 . . . . 100.0 110.045 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.06 152.59 47.78 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 113.432 -1.384 . . . . 100.0 108.527 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.5 m -84.38 83.21 8.07 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 105.991 -1.855 . . . . 100.0 105.991 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.7 141.68 46.2 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 104.13 -2.544 . . . . 100.0 104.13 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.82 128.6 36.67 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 115.314 -0.857 . . . . 100.0 110.788 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.0 28.75 18.11 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 113.028 -1.896 . . . . 100.0 112.77 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 p 51.7 43.38 29.97 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.784 2.034 . . . . 100.0 113.059 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.32 138.56 45.49 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.796 -1.187 . . . . 100.0 107.796 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.01 130.22 36.22 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 106.99 -1.485 . . . . 100.0 106.99 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.59 -42.05 99.33 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 117.606 2.447 . . . . 100.0 117.606 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.4 ' HG2' HG21 ' A' ' 13' ' ' ILE 0.25 15.5 pm0 -71.18 157.21 38.54 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 122.388 1.09 . . . . 100.0 113.404 -177.767 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.75 87.25 6.34 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 113.912 -1.495 . . . . 100.0 109.273 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.425 HD11 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.09 -10.93 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 N-CA-C 119.502 3.149 . . . . 100.0 119.502 -178.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.13 147.34 52.46 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-N 119.795 1.179 . . . . 100.0 109.202 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.06 92.12 Favored 'General case' 0 CA--C 1.497 -1.084 0 C-N-CA 125.238 1.415 . . . . 100.0 113.139 -176.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -63.02 -42.32 99.78 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-O 117.289 -1.339 . . . . 100.0 112.891 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.03 -48.0 0.0 OUTLIER 'General case' 0 C--N 1.377 1.785 0 O-C-N 124.698 1.249 . . . . 100.0 113.231 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.531 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.3 mtt -80.63 -179.11 7.06 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 116.346 1.98 . . . . 100.0 116.346 -176.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 20' ' ' PHE . 83.4 m -72.51 164.83 25.78 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 119.795 -1.815 . . . . 100.0 109.299 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.417 ' HB2' HD13 ' A' ' 13' ' ' ILE . 84.5 t80 -60.04 -42.69 94.97 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.799 2.04 . . . . 100.0 108.021 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.14 -38.92 92.81 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 125.938 1.695 . . . . 100.0 110.445 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -91.06 12.13 20.83 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.596 1.958 . . . . 100.0 112.264 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.6 89.56 Favored Pre-proline 0 N--CA 1.441 -0.92 0 CA-C-O 115.421 -2.228 . . . . 100.0 113.272 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -59.25 -33.73 97.99 Favored 'Trans proline' 0 C--N 1.38 2.188 0 CA-C-N 124.034 2.476 . . . . 100.0 112.427 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.07 -23.59 64.97 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 124.144 0.978 . . . . 100.0 112.51 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 92.8 m -61.0 -35.93 78.14 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 125.094 1.358 . . . . 100.0 110.406 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.86 -38.32 85.16 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.079 1.351 . . . . 100.0 110.594 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.45 139.08 57.06 Favored 'General case' 0 C--N 1.36 1.043 0 N-CA-C 106.755 -1.572 . . . . 100.0 106.755 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.53 13.24 24.66 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 114.569 1.322 . . . . 100.0 114.569 -178.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -60.52 -42.29 96.15 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.338 1.055 . . . . 100.0 111.084 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -62.74 -43.96 97.44 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 125.414 1.486 . . . . 100.0 111.193 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -64.2 -42.91 96.44 Favored 'General case' 0 CA--C 1.497 -1.06 0 C-N-CA 123.928 0.891 . . . . 100.0 112.403 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -70.72 151.81 44.5 Favored 'General case' 0 CA--C 1.495 -1.149 0 CA-C-O 121.748 0.785 . . . . 100.0 113.078 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.64 7.12 63.4 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 115.12 -0.945 . . . . 100.0 111.745 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -103.68 148.46 26.01 Favored 'General case' 0 CA--C 1.49 -1.338 0 C-N-CA 123.484 0.714 . . . . 100.0 109.492 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -59.02 -49.43 77.92 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 114.906 1.447 . . . . 100.0 114.906 -175.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 68' ' ' PHE . 58.3 tp -138.97 125.0 19.96 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 116.623 -2.031 . . . . 100.0 109.898 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.57 -38.36 89.31 Favored 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 125.403 1.481 . . . . 100.0 111.215 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.32 -23.57 66.83 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 126.749 2.019 . . . . 100.0 112.705 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.52 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 90.6 t80 -62.15 130.47 45.61 Favored 'General case' 0 C--N 1.367 1.336 0 N-CA-C 108.384 -0.969 . . . . 100.0 108.384 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -89.52 122.84 33.08 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-O 122.758 1.266 . . . . 100.0 110.717 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -148.45 -165.88 2.39 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 113.086 -1.87 . . . . 100.0 106.668 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.8 -42.67 98.07 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-O 118.058 -0.972 . . . . 100.0 113.594 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.7 p90 -70.35 156.82 38.79 Favored 'General case' 0 C--N 1.362 1.147 0 CA-C-N 119.351 0.978 . . . . 100.0 111.522 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -76.66 123.1 87.57 Favored Pre-proline 0 N--CA 1.442 -0.842 0 N-CA-C 108.041 -1.096 . . . . 100.0 108.041 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -59.94 -34.63 95.07 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 124.392 3.395 . . . . 100.0 113.782 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -78.37 127.13 31.76 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 105.891 -1.892 . . . . 100.0 105.891 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -97.97 130.14 44.83 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-N 115.426 -0.806 . . . . 100.0 110.306 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -62.6 -46.33 88.78 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 114.535 -1.211 . . . . 100.0 112.994 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.34 -43.12 91.93 Favored 'General case' 0 CA--C 1.497 -1.081 0 N-CA-C 113.842 1.053 . . . . 100.0 113.842 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.498 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 47.4 p -87.28 80.64 8.16 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 121.237 0.541 . . . . 100.0 109.672 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -92.84 109.66 21.1 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 106.922 -1.511 . . . . 100.0 106.922 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.82 -14.55 61.43 Favored Glycine 0 N--CA 1.432 -1.574 0 CA-C-N 113.289 -1.778 . . . . 100.0 113.082 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.498 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 86.1 mt-10 -70.38 -43.11 70.75 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 118.712 1.256 . . . . 100.0 111.726 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -64.92 -43.93 91.18 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 123.658 0.783 . . . . 100.0 109.833 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.8 t70 51.78 43.82 29.75 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 127.86 2.464 . . . . 100.0 111.753 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.3 t -102.32 -48.23 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 N-CA-C 105.21 -2.144 . . . . 100.0 105.21 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.38 57.4 m-85 -65.56 -37.37 86.5 Favored 'General case' 0 N--CA 1.428 -1.573 0 N-CA-C 116.806 2.15 . . . . 100.0 116.806 -178.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -61.36 -48.47 91.02 Favored Pre-proline 0 C--N 1.36 1.048 0 CA-C-O 116.868 -1.539 . . . . 100.0 111.359 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -75.85 -18.87 16.63 Favored 'Trans proline' 0 C--N 1.379 2.146 0 CA-C-N 122.435 1.905 . . . . 100.0 112.741 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.2 t70 53.97 43.58 30.61 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 126.743 2.017 . . . . 100.0 112.985 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.8 tp -109.22 121.14 44.53 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 105.077 -2.194 . . . . 100.0 105.077 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -117.11 124.74 49.95 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 103.474 -2.788 . . . . 100.0 103.474 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 66.6 mtm -114.1 118.57 34.42 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 106.312 -1.736 . . . . 100.0 106.312 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.491 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 54.1 mt-10 -63.25 -43.06 99.06 Favored 'General case' 0 CA--C 1.492 -1.264 0 CA-C-N 114.055 -1.429 . . . . 100.0 113.347 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.53 -43.77 97.47 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 C-N-CA 124.704 1.202 . . . . 100.0 110.257 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.12 -48.07 90.21 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 CA-C-O 118.403 -0.808 . . . . 100.0 110.522 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.52 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.404 12.3 p90 -69.45 -39.19 77.92 Favored 'General case' 0 C--N 1.361 1.087 0 N-CA-C 115.476 1.658 . . . . 100.0 115.476 -179.666 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 N--CA 1.44 -0.968 0 CA-C-O 122.888 1.328 . . . . 100.0 111.585 -178.158 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.349 0 N-CA-C 110.007 -1.237 . . . . 100.0 110.007 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -128.03 152.6 47.74 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 113.404 -1.398 . . . . 100.0 108.552 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.9 m -84.43 83.28 8.05 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 105.989 -1.856 . . . . 100.0 105.989 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.7 141.66 46.23 Favored 'General case' 0 N--CA 1.427 -1.594 0 N-CA-C 104.171 -2.529 . . . . 100.0 104.171 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.79 128.58 36.59 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 115.324 -0.853 . . . . 100.0 110.771 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.01 28.75 18.11 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 113.083 -1.871 . . . . 100.0 112.769 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.2 p 51.61 43.43 29.8 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 126.81 2.044 . . . . 100.0 113.067 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.3 138.59 45.54 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 107.832 -1.173 . . . . 100.0 107.832 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.01 130.24 36.25 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 107.003 -1.48 . . . . 100.0 107.003 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.63 -42.0 99.34 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 117.646 2.461 . . . . 100.0 117.646 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -71.2 157.24 38.48 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-O 122.395 1.093 . . . . 100.0 113.447 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.78 87.29 6.35 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 113.961 -1.472 . . . . 100.0 109.221 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.424 HD11 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.05 -11.06 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 N-CA-C 119.527 3.158 . . . . 100.0 119.527 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.3 t -64.06 147.29 52.5 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 119.81 1.186 . . . . 100.0 109.228 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.41 ' HB2' ' HH ' ' A' ' 45' ' ' TYR . . . -59.63 -42.14 92.04 Favored 'General case' 0 CA--C 1.497 -1.07 0 C-N-CA 125.271 1.428 . . . . 100.0 113.152 -176.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.6 m80 -62.99 -42.31 99.81 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-O 117.257 -1.354 . . . . 100.0 112.903 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.6 p 164.04 -48.0 0.0 OUTLIER 'General case' 0 C--N 1.377 1.776 0 O-C-N 124.704 1.253 . . . . 100.0 113.23 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.53 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.65 -179.11 7.07 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 116.325 1.972 . . . . 100.0 116.325 -176.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 20' ' ' PHE . 86.5 m -72.52 164.82 25.79 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 119.814 -1.804 . . . . 100.0 109.244 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' HD13 ' A' ' 13' ' ' ILE . 84.5 t80 -60.0 -42.74 94.93 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 126.806 2.043 . . . . 100.0 108.018 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.13 -39.01 93.11 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 125.953 1.701 . . . . 100.0 110.416 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -90.94 12.09 20.69 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 126.548 1.939 . . . . 100.0 112.294 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.53 89.19 Favored Pre-proline 0 N--CA 1.44 -0.941 0 CA-C-O 115.407 -2.235 . . . . 100.0 113.322 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.22 -33.74 98.1 Favored 'Trans proline' 0 C--N 1.379 2.165 0 CA-C-N 124.095 2.498 . . . . 100.0 112.486 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.05 -23.6 64.98 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 124.145 0.978 . . . . 100.0 112.541 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.53 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.3 m -61.03 -35.93 78.19 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 125.039 1.336 . . . . 100.0 110.402 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.79 -38.35 85.03 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.024 1.33 . . . . 100.0 110.589 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.47 139.1 57.03 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 106.767 -1.568 . . . . 100.0 106.767 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.503 ' HG ' ' HD2' ' A' ' 32' ' ' ARG . 8.1 mp -94.5 16.95 14.04 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 114.579 1.326 . . . . 100.0 114.579 -178.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -60.63 -43.55 97.39 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.864 1.265 . . . . 100.0 110.702 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.44 -41.47 98.75 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.938 1.695 . . . . 100.0 111.55 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.717 ' HD3' ' HE1' ' A' ' 44' ' ' TRP . 68.4 mtt180 -61.49 -42.34 98.64 Favored 'General case' 0 CA--C 1.496 -1.105 0 C-N-CA 125.3 1.44 . . . . 100.0 111.099 -177.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -70.05 152.21 44.64 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 109.166 -0.679 . . . . 100.0 109.166 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.55 -8.67 66.47 Favored Glycine 0 C--N 1.351 1.368 0 CA-C-O 118.554 -1.136 . . . . 100.0 112.802 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -86.98 142.72 27.75 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 118.777 1.289 . . . . 100.0 108.849 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -61.39 -48.94 78.95 Favored 'General case' 0 N--CA 1.44 -0.965 0 N-CA-C 113.693 0.997 . . . . 100.0 113.693 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 68' ' ' PHE . 63.4 tp -134.08 128.86 35.07 Favored 'General case' 0 CA--C 1.49 -1.336 0 C-N-CA 118.484 -1.286 . . . . 100.0 109.346 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.445 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 94.8 mt -63.17 -40.83 98.68 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 126.296 1.839 . . . . 100.0 111.009 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.42 -22.56 66.96 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 126.08 1.752 . . . . 100.0 114.24 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.463 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 87.4 t80 -58.89 132.21 53.3 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 107.939 -1.134 . . . . 100.0 107.939 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -93.07 124.05 36.77 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-O 122.388 1.09 . . . . 100.0 111.997 -175.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -153.77 -168.02 2.85 Favored 'General case' 0 N--CA 1.437 -1.082 0 C-N-CA 126.17 1.788 . . . . 100.0 107.259 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -60.27 -39.87 88.34 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 124.551 1.141 . . . . 100.0 111.28 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.717 ' HE1' ' HD3' ' A' ' 32' ' ' ARG 0.266 5.6 t90 -55.41 140.06 41.22 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 128.145 2.578 . . . . 100.0 109.37 176.381 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.41 ' HH ' ' HB2' ' A' ' 15' ' ' ALA . 92.5 m-85 -82.0 121.27 78.91 Favored Pre-proline 0 C--N 1.361 1.082 0 N-CA-C 108.139 -1.06 . . . . 100.0 108.139 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -58.88 -36.87 96.23 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 124.36 3.373 . . . . 100.0 113.708 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.49 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 86.5 tt0 -76.08 128.8 35.74 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 106.201 -1.778 . . . . 100.0 106.201 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -101.82 128.54 48.14 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-O 122.049 0.928 . . . . 100.0 109.149 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.73 -47.33 85.74 Favored 'General case' 0 N--CA 1.437 -1.082 0 C-N-CA 125.423 1.489 . . . . 100.0 113.82 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.74 -41.47 87.77 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 113.602 0.964 . . . . 100.0 113.602 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 42.9 p -85.97 83.77 7.7 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 122.183 0.992 . . . . 100.0 110.048 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -90.97 106.91 18.85 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 107.55 -1.278 . . . . 100.0 107.55 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.85 -14.09 59.44 Favored Glycine 0 N--CA 1.432 -1.582 0 CA-C-N 113.747 -1.569 . . . . 100.0 113.237 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.514 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 83.2 mt-10 -70.16 -41.9 73.22 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 118.487 1.143 . . . . 100.0 111.689 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.25 -45.06 93.33 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.593 1.157 . . . . 100.0 110.131 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.6 t0 53.54 42.27 31.95 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 127.156 2.183 . . . . 100.0 111.971 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.2 t -102.33 -46.6 11.04 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 105.426 -2.064 . . . . 100.0 105.426 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.49 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.378 35.6 m-85 -65.41 -38.12 88.98 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 117.029 2.233 . . . . 100.0 117.029 -179.245 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -61.85 -49.06 87.53 Favored Pre-proline 0 C--N 1.357 0.927 0 CA-C-O 116.892 -1.528 . . . . 100.0 111.895 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.76 -24.08 18.54 Favored 'Trans proline' 0 C--N 1.38 2.223 0 CA-C-N 122.421 1.9 . . . . 100.0 112.156 177.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t70 53.38 45.91 27.39 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 127.534 2.333 . . . . 100.0 112.301 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.4 mt -110.37 123.95 50.8 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 105.53 -2.026 . . . . 100.0 105.53 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -115.18 119.7 37.27 Favored 'General case' 0 N--CA 1.434 -1.252 0 N-CA-C 102.97 -2.974 . . . . 100.0 102.97 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 59.3 mtm -114.97 118.34 33.18 Favored 'General case' 0 CA--C 1.492 -1.282 0 N-CA-C 107.778 -1.193 . . . . 100.0 107.778 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.452 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 66.6 mt-10 -63.53 -42.82 98.43 Favored 'General case' 0 CA--C 1.495 -1.141 0 CA-C-N 113.997 -1.456 . . . . 100.0 112.979 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.75 -43.79 97.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 C-N-CA 124.514 1.126 . . . . 100.0 110.12 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.07 -47.74 91.76 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 CA-C-O 118.404 -0.808 . . . . 100.0 110.741 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.463 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.429 9.5 p90 -68.66 -38.57 80.52 Favored 'General case' 0 C--N 1.362 1.152 0 N-CA-C 115.081 1.511 . . . . 100.0 115.081 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 N--CA 1.439 -1.003 0 CA-C-O 122.717 1.246 . . . . 100.0 110.896 -178.992 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.335 0 N-CA-C 110.015 -1.234 . . . . 100.0 110.015 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.04 152.62 47.73 Favored 'General case' 0 CA--C 1.495 -1.166 0 CA-C-N 113.419 -1.391 . . . . 100.0 108.555 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.9 m -84.44 83.23 8.07 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 105.914 -1.884 . . . . 100.0 105.914 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.65 141.68 46.14 Favored 'General case' 0 N--CA 1.427 -1.596 0 N-CA-C 104.184 -2.524 . . . . 100.0 104.184 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.59 36.62 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.327 -0.851 . . . . 100.0 110.786 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.04 28.69 18.03 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 113.071 -1.877 . . . . 100.0 112.79 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.1 p 51.69 43.44 29.91 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.831 2.053 . . . . 100.0 113.02 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.9 m -73.32 138.6 45.51 Favored 'General case' 0 C--N 1.357 0.929 0 N-CA-C 107.834 -1.173 . . . . 100.0 107.834 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.0 130.26 36.28 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 106.967 -1.494 . . . . 100.0 106.967 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -62.63 -42.03 99.36 Favored 'General case' 0 CA--C 1.495 -1.17 0 N-CA-C 117.581 2.438 . . . . 100.0 117.581 -177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -71.24 157.21 38.52 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 122.406 1.098 . . . . 100.0 113.388 -177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.73 87.24 6.33 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 113.931 -1.486 . . . . 100.0 109.279 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.43 HD11 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.04 -11.05 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 N-CA-C 119.514 3.153 . . . . 100.0 119.514 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.05 147.35 52.34 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 119.824 1.193 . . . . 100.0 109.195 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.08 92.42 Favored 'General case' 0 CA--C 1.497 -1.094 0 C-N-CA 125.285 1.434 . . . . 100.0 113.142 -176.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -62.98 -42.37 99.82 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-O 117.235 -1.364 . . . . 100.0 112.887 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.8 p 164.06 -47.95 0.0 OUTLIER 'General case' 0 C--N 1.376 1.76 0 O-C-N 124.74 1.275 . . . . 100.0 113.211 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.531 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.74 -179.12 7.1 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 116.309 1.966 . . . . 100.0 116.309 -176.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 20' ' ' PHE . 83.1 m -72.41 164.83 25.7 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 119.778 -1.826 . . . . 100.0 109.296 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.429 ' HB2' HD13 ' A' ' 13' ' ' ILE . 84.4 t80 -60.06 -42.65 94.99 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.767 2.027 . . . . 100.0 108.047 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.24 -38.93 92.79 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.961 1.705 . . . . 100.0 110.377 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -90.98 12.14 20.63 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 126.554 1.942 . . . . 100.0 112.275 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.86 -41.51 89.03 Favored Pre-proline 0 N--CA 1.441 -0.911 0 CA-C-O 115.411 -2.233 . . . . 100.0 113.325 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.2 -33.82 98.2 Favored 'Trans proline' 0 C--N 1.38 2.192 0 CA-C-N 124.073 2.49 . . . . 100.0 112.437 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.05 -23.55 64.98 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.129 0.972 . . . . 100.0 112.563 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.4 m -61.07 -35.93 78.28 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 125.055 1.342 . . . . 100.0 110.37 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.4 m -60.81 -38.29 84.87 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 125.04 1.336 . . . . 100.0 110.581 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.56 139.06 56.91 Favored 'General case' 0 C--N 1.36 1.041 0 N-CA-C 106.755 -1.572 . . . . 100.0 106.755 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.46 11.25 31.39 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 114.6 1.333 . . . . 100.0 114.6 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -61.63 -39.25 90.63 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 123.267 0.627 . . . . 100.0 112.395 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -62.13 -42.36 99.17 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 123.638 0.775 . . . . 100.0 110.742 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -62.62 -39.62 94.38 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 124.157 0.983 . . . . 100.0 111.464 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -69.49 151.96 45.42 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.756 -0.831 . . . . 100.0 108.756 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.95 2.34 64.66 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-O 119.274 -0.736 . . . . 100.0 112.243 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -98.65 138.36 35.94 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 107.588 -1.264 . . . . 100.0 107.588 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.38 -47.5 85.81 Favored 'General case' 0 N--CA 1.435 -1.198 0 C-N-CA 124.982 1.313 . . . . 100.0 113.01 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -129.97 125.43 35.39 Favored 'General case' 0 CA--C 1.492 -1.252 0 CA-C-N 118.839 0.745 . . . . 100.0 110.514 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.1 -39.82 90.28 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 125.449 1.5 . . . . 100.0 110.163 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.73 -23.41 67.35 Favored 'General case' 0 CA--C 1.498 -1.044 0 C-N-CA 126.461 1.904 . . . . 100.0 114.278 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -62.44 134.46 56.45 Favored 'General case' 0 C--N 1.36 1.054 0 CA-C-O 121.774 0.797 . . . . 100.0 109.949 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -81.26 119.67 23.93 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 122.754 1.264 . . . . 100.0 110.966 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -144.96 179.88 7.06 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 128.328 2.651 . . . . 100.0 106.287 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -61.39 -42.33 98.55 Favored 'General case' 0 C--N 1.357 0.891 0 C-N-CA 123.965 0.906 . . . . 100.0 110.338 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -65.06 147.24 53.84 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.623 0.769 . . . . 100.0 111.545 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -74.01 125.02 90.54 Favored Pre-proline 0 C--N 1.355 0.806 0 CA-C-N 116.03 -0.532 . . . . 100.0 111.028 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -58.37 -37.11 96.47 Favored 'Trans proline' 0 C--N 1.372 1.786 0 C-N-CA 124.383 3.388 . . . . 100.0 114.801 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.482 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.7 tt0 -78.41 128.13 33.19 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 105.716 -1.957 . . . . 100.0 105.716 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -100.94 131.66 46.72 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-O 121.742 0.782 . . . . 100.0 110.321 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.79 -47.08 86.76 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 124.979 1.311 . . . . 100.0 113.66 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.21 -41.79 94.13 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 113.389 0.885 . . . . 100.0 113.389 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.478 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 60.7 p -84.95 82.39 8.47 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-O 121.814 0.816 . . . . 100.0 111.005 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -92.02 106.23 18.3 Favored 'General case' 0 N--CA 1.435 -1.18 0 N-CA-C 106.735 -1.58 . . . . 100.0 106.735 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.05 -13.64 60.9 Favored Glycine 0 N--CA 1.433 -1.513 0 CA-C-N 113.709 -1.587 . . . . 100.0 113.81 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.478 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 75.4 mt-10 -70.33 -41.05 73.76 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 118.4 1.1 . . . . 100.0 110.715 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -62.64 -45.78 91.27 Favored 'General case' 0 CA--C 1.493 -1.214 0 C-N-CA 124.735 1.214 . . . . 100.0 109.845 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.6 t0 53.66 42.43 31.85 Favored 'General case' 0 C--N 1.361 1.106 0 C-N-CA 126.334 1.854 . . . . 100.0 110.521 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.1 t -103.77 -51.5 8.63 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.879 0 N-CA-C 106.535 -1.654 . . . . 100.0 106.535 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.326 25.7 m-85 -64.76 -39.49 93.71 Favored 'General case' 0 CA--C 1.487 -1.45 0 N-CA-C 116.78 2.141 . . . . 100.0 116.78 -178.818 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -61.72 -48.61 89.26 Favored Pre-proline 0 C--N 1.357 0.932 0 CA-C-O 116.911 -1.519 . . . . 100.0 113.393 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -76.46 -18.27 15.82 Favored 'Trans proline' 0 C--N 1.377 2.072 0 CA-C-N 122.357 1.877 . . . . 100.0 113.28 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 53.76 44.22 29.92 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 126.302 1.841 . . . . 100.0 112.435 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 tp -110.65 120.93 44.03 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 106.132 -1.803 . . . . 100.0 106.132 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -119.66 125.05 47.76 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 105.366 -2.087 . . . . 100.0 105.366 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 61.1 mtm -116.35 114.63 24.57 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 106.625 -1.62 . . . . 100.0 106.625 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.498 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 77.4 mt-10 -64.66 -40.08 94.81 Favored 'General case' 0 CA--C 1.488 -1.439 0 CA-C-N 114.815 -1.084 . . . . 100.0 113.648 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.31 -43.77 97.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 C-N-CA 124.086 0.954 . . . . 100.0 109.723 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.07 -48.93 86.21 Favored 'Isoleucine or valine' 0 C--N 1.36 1.05 0 CA-C-O 117.918 -1.039 . . . . 100.0 111.005 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.498 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.382 18.1 p90 -69.22 -39.02 78.82 Favored 'General case' 0 C--N 1.361 1.085 0 N-CA-C 115.028 1.492 . . . . 100.0 115.028 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -81.53 79.94 8.01 Favored 'General case' 0 CA--C 1.495 -1.151 0 CA-C-O 123.185 1.469 . . . . 100.0 114.005 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.1 m -66.53 -40.3 89.07 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 113.042 -1.89 . . . . 100.0 106.345 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.26 1.632 0 C-N-CA 124.715 1.206 . . . . 100.0 108.133 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.422 0 N-CA-C 110.033 -1.227 . . . . 100.0 110.033 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -128.02 152.63 47.7 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 113.449 -1.375 . . . . 100.0 108.562 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.6 m -84.39 83.23 8.06 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 106.005 -1.85 . . . . 100.0 106.005 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.67 141.65 46.21 Favored 'General case' 0 N--CA 1.427 -1.618 0 N-CA-C 104.187 -2.523 . . . . 100.0 104.187 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.7 128.52 36.34 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 115.334 -0.848 . . . . 100.0 110.79 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.05 28.7 18.05 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 113.096 -1.865 . . . . 100.0 112.811 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.1 p 51.65 43.4 29.87 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.831 2.052 . . . . 100.0 113.049 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.25 138.61 45.64 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 107.786 -1.19 . . . . 100.0 107.786 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.2 36.18 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 106.964 -1.495 . . . . 100.0 106.964 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.61 -41.95 99.29 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 117.614 2.45 . . . . 100.0 117.614 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.402 ' HG2' HG21 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.34 157.21 38.48 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-O 122.367 1.08 . . . . 100.0 113.414 -177.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -81.76 87.33 6.34 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 113.98 -1.463 . . . . 100.0 109.173 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.424 HD11 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.08 -11.01 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 119.547 3.165 . . . . 100.0 119.547 -178.399 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.08 147.33 52.44 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 119.826 1.194 . . . . 100.0 109.216 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.03 92.1 Favored 'General case' 0 CA--C 1.497 -1.094 0 C-N-CA 125.286 1.434 . . . . 100.0 113.185 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.511 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.6 m80 -63.13 -42.23 99.45 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-O 117.246 -1.359 . . . . 100.0 112.885 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.4 p 164.06 -48.04 0.0 OUTLIER 'General case' 0 C--N 1.377 1.767 0 O-C-N 124.68 1.237 . . . . 100.0 113.191 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.534 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.65 -179.17 7.09 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 116.3 1.963 . . . . 100.0 116.3 -176.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 20' ' ' PHE . 84.0 m -72.42 164.84 25.7 Favored 'General case' 0 C--N 1.36 1.045 0 O-C-N 119.813 -1.804 . . . . 100.0 109.273 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.42 ' HB2' HD13 ' A' ' 13' ' ' ILE . 84.5 t80 -60.11 -42.62 95.13 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 126.814 2.046 . . . . 100.0 108.042 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.23 -38.9 92.7 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 125.891 1.676 . . . . 100.0 110.42 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -91.05 12.2 20.59 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 126.492 1.917 . . . . 100.0 112.268 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.57 89.37 Favored Pre-proline 0 N--CA 1.44 -0.935 0 CA-C-O 115.447 -2.216 . . . . 100.0 113.344 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.21 -33.77 98.17 Favored 'Trans proline' 0 C--N 1.379 2.181 0 CA-C-N 124.039 2.478 . . . . 100.0 112.451 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.05 -23.62 64.99 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 124.147 0.979 . . . . 100.0 112.547 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.534 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 92.9 m -61.0 -35.93 78.15 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 125.059 1.344 . . . . 100.0 110.403 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.78 -38.39 85.16 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.047 1.339 . . . . 100.0 110.554 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.44 139.08 57.07 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 106.746 -1.576 . . . . 100.0 106.746 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.5 17.08 13.77 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 114.617 1.34 . . . . 100.0 114.617 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.9 -44.92 93.98 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 125.058 1.343 . . . . 100.0 111.271 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -63.49 -40.59 97.5 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 123.665 0.786 . . . . 100.0 112.812 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -65.01 -40.16 94.49 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 124.113 0.965 . . . . 100.0 111.308 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -67.97 151.26 47.38 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.085 0.954 . . . . 100.0 110.671 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.36 -1.65 69.92 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-O 119.005 -0.886 . . . . 100.0 112.339 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -95.47 142.19 28.13 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 118.084 0.942 . . . . 100.0 110.079 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -60.01 -48.01 83.48 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 125.202 1.401 . . . . 100.0 113.895 -176.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.7 mt -129.58 124.15 33.09 Favored 'General case' 0 CA--C 1.489 -1.368 0 CA-C-N 119.122 0.874 . . . . 100.0 111.317 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.78 -39.05 84.13 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 124.625 1.17 . . . . 100.0 110.432 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.82 -24.4 67.74 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 125.974 1.709 . . . . 100.0 113.297 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -61.4 134.65 57.15 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 123.891 0.876 . . . . 100.0 110.493 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -78.48 123.56 27.18 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-O 123.126 1.441 . . . . 100.0 112.184 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -146.64 176.63 9.69 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 129.35 3.06 . . . . 100.0 106.941 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -61.39 -40.7 95.3 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.791 0.836 . . . . 100.0 110.536 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.6 p90 -69.46 156.81 38.26 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.369 0.604 . . . . 100.0 112.227 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -75.09 124.49 89.42 Favored Pre-proline 0 N--CA 1.439 -1.005 0 CA-C-N 114.697 -1.138 . . . . 100.0 110.158 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.33 -34.8 93.2 Favored 'Trans proline' 0 C--N 1.371 1.727 0 C-N-CA 124.568 3.512 . . . . 100.0 112.709 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.484 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.6 tt0 -76.77 128.45 34.66 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 106.022 -1.844 . . . . 100.0 106.022 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 61.7 mt-10 -100.01 129.5 46.07 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-O 121.891 0.853 . . . . 100.0 109.977 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.4 mt -62.85 -45.94 90.22 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 125.187 1.395 . . . . 100.0 112.871 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.35 -42.74 96.07 Favored 'General case' 0 CA--C 1.496 -1.101 0 C-N-CA 123.965 0.906 . . . . 100.0 113.256 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.561 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 24.2 p -86.63 84.94 7.29 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-O 121.909 0.861 . . . . 100.0 110.189 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -91.83 105.95 18.1 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 105.973 -1.862 . . . . 100.0 105.973 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.73 -12.62 62.99 Favored Glycine 0 N--CA 1.435 -1.388 0 CA-C-N 113.859 -1.519 . . . . 100.0 113.902 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.561 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 38.6 mt-10 -70.23 -42.43 72.28 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 118.552 1.176 . . . . 100.0 111.174 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.28 -44.85 93.91 Favored 'General case' 0 CA--C 1.497 -1.066 0 C-N-CA 124.388 1.075 . . . . 100.0 110.023 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.4 t0 54.04 41.07 32.17 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 127.249 2.22 . . . . 100.0 111.275 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.5 t -101.83 -47.61 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 N-CA-C 105.37 -2.085 . . . . 100.0 105.37 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.369 26.1 m-85 -64.39 -38.32 90.63 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 116.771 2.138 . . . . 100.0 116.771 -178.759 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.429 ' HB2' ' HD3' ' A' ' 60' ' ' PRO . 64.5 m-20 -61.91 -48.34 89.18 Favored Pre-proline 0 C--N 1.359 1.016 0 CA-C-O 116.906 -1.521 . . . . 100.0 110.895 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HD3' ' HB2' ' A' ' 59' ' ' ASP . 33.6 Cg_exo -70.3 -26.19 25.3 Favored 'Trans proline' 0 C--N 1.383 2.346 0 C-N-CA 122.259 1.972 . . . . 100.0 112.023 177.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.7 t70 55.73 42.42 29.27 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 127.367 2.267 . . . . 100.0 111.709 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.4 mt -115.14 128.07 55.97 Favored 'General case' 0 CA--C 1.491 -1.317 0 N-CA-C 107.095 -1.446 . . . . 100.0 107.095 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -109.74 121.85 46.16 Favored 'General case' 0 CA--C 1.492 -1.265 0 N-CA-C 104.608 -2.367 . . . . 100.0 104.608 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 89.7 mtp -109.28 109.45 20.37 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 105.761 -1.94 . . . . 100.0 105.761 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.487 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 51.5 mt-10 -64.09 -40.93 97.3 Favored 'General case' 0 CA--C 1.491 -1.291 0 CA-C-N 114.34 -1.3 . . . . 100.0 113.494 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.42 -44.26 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 C-N-CA 124.577 1.151 . . . . 100.0 109.968 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.7 t -62.4 -49.39 84.12 Favored 'Isoleucine or valine' 0 C--N 1.361 1.086 0 CA-C-O 118.13 -0.938 . . . . 100.0 110.88 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.487 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.444 26.5 p90 -68.74 -38.52 80.22 Favored 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 116.545 2.054 . . . . 100.0 116.545 -179.404 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -82.8 81.41 8.54 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-O 122.528 1.156 . . . . 100.0 111.648 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.7 m -65.21 -41.65 94.26 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.567 1.547 . . . . 100.0 107.793 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.452 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 3.0 pm0 . . . . . 0 C--O 1.26 1.617 0 N-CA-C 108.622 -0.881 . . . . 100.0 108.622 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.388 0 N-CA-C 110.052 -1.219 . . . . 100.0 110.052 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.05 152.63 47.72 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 113.419 -1.39 . . . . 100.0 108.554 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.9 m -84.4 83.21 8.07 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 106.004 -1.85 . . . . 100.0 106.004 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.66 141.72 46.11 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 104.123 -2.547 . . . . 100.0 104.123 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.86 128.55 36.41 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 115.267 -0.879 . . . . 100.0 110.701 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.05 28.76 18.13 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 113.001 -1.909 . . . . 100.0 112.78 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.5 p 51.63 43.4 29.85 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 126.84 2.056 . . . . 100.0 113.063 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -73.25 138.59 45.64 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 107.851 -1.166 . . . . 100.0 107.851 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.23 36.23 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 106.976 -1.49 . . . . 100.0 106.976 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.62 -42.0 99.33 Favored 'General case' 0 N--CA 1.437 -1.117 0 N-CA-C 117.594 2.442 . . . . 100.0 117.594 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.402 ' HG2' HG21 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.28 157.24 38.45 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-O 122.408 1.099 . . . . 100.0 113.431 -177.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -81.72 87.24 6.33 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 113.972 -1.467 . . . . 100.0 109.243 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.425 HD13 ' HB2' ' A' ' 20' ' ' PHE . 2.2 pp -84.02 -10.99 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 N-CA-C 119.541 3.163 . . . . 100.0 119.541 -178.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.17 147.34 52.52 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 119.824 1.193 . . . . 100.0 109.199 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.524 ' HB2' ' HH ' ' A' ' 45' ' ' TYR . . . -59.74 -42.09 92.39 Favored 'General case' 0 CA--C 1.497 -1.089 0 C-N-CA 125.279 1.432 . . . . 100.0 113.13 -176.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.5 m80 -63.01 -42.27 99.79 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 117.258 -1.353 . . . . 100.0 112.914 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.02 -47.98 0.0 OUTLIER 'General case' 0 C--N 1.376 1.759 0 O-C-N 124.655 1.222 . . . . 100.0 113.227 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.537 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.71 -179.11 7.09 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 116.347 1.98 . . . . 100.0 116.347 -176.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 20' ' ' PHE . 86.0 m -72.51 164.87 25.72 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 119.833 -1.792 . . . . 100.0 109.282 -178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.425 ' HB2' HD13 ' A' ' 13' ' ' ILE . 84.5 t80 -60.1 -42.66 95.15 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 126.776 2.03 . . . . 100.0 108.028 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.15 -38.96 92.95 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 125.936 1.695 . . . . 100.0 110.428 178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -90.97 12.08 20.79 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 126.559 1.944 . . . . 100.0 112.283 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.51 89.04 Favored Pre-proline 0 N--CA 1.44 -0.939 0 CA-C-O 115.408 -2.234 . . . . 100.0 113.331 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.21 -33.77 98.16 Favored 'Trans proline' 0 C--N 1.38 2.186 0 CA-C-N 124.071 2.49 . . . . 100.0 112.452 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.06 -23.59 64.98 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 124.137 0.975 . . . . 100.0 112.552 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.2 m -61.06 -35.91 78.2 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 125.069 1.348 . . . . 100.0 110.398 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.4 m -60.76 -38.4 85.12 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 125.068 1.347 . . . . 100.0 110.607 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.43 139.05 57.08 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 106.779 -1.563 . . . . 100.0 106.779 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.5 15.13 18.66 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 114.566 1.321 . . . . 100.0 114.566 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -59.52 -44.29 93.19 Favored 'General case' 0 CA--C 1.5 -0.97 0 C-N-CA 123.052 0.541 . . . . 100.0 111.891 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -64.25 -41.08 97.12 Favored 'General case' 0 N--CA 1.433 -1.287 0 C-N-CA 123.891 0.876 . . . . 100.0 112.169 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -64.07 -40.67 96.76 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.925 0.89 . . . . 100.0 112.207 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -68.29 150.82 47.78 Favored 'General case' 0 CA--C 1.5 -0.943 0 C-N-CA 124.441 1.096 . . . . 100.0 111.156 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.47 4.21 70.91 Favored Glycine 0 C--N 1.354 1.541 0 CA-C-O 118.907 -0.94 . . . . 100.0 113.468 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -98.25 151.26 20.65 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-N 118.577 1.189 . . . . 100.0 110.56 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.435 ' HE2' ' HG1' ' A' ' 70' ' ' THR . 86.6 t80 -59.0 -50.17 75.12 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 115.687 1.736 . . . . 100.0 115.687 -175.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 68' ' ' PHE . 65.6 tp -140.48 127.96 21.4 Favored 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 118.047 -1.461 . . . . 100.0 108.602 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.23 -39.43 92.73 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 125.116 1.366 . . . . 100.0 111.693 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.96 -23.75 67.56 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.579 1.552 . . . . 100.0 113.145 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.459 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 85.9 t80 -60.99 132.13 52.87 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-O 121.536 0.684 . . . . 100.0 109.814 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -83.27 121.21 26.82 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 114.702 -1.136 . . . . 100.0 110.843 -176.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . 0.31 14.9 pt-20 -152.86 -166.97 2.6 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 126.049 1.739 . . . . 100.0 109.114 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -58.8 -46.21 88.11 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 114.096 1.147 . . . . 100.0 114.096 -176.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -73.45 159.51 33.12 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 112.404 0.52 . . . . 100.0 112.404 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.524 ' HH ' ' HB2' ' A' ' 15' ' ' ALA . 94.3 m-85 -78.37 127.32 81.28 Favored Pre-proline 0 N--CA 1.438 -1.044 0 CA-C-N 115.581 -0.736 . . . . 100.0 109.401 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -59.46 -34.17 97.24 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 124.336 3.357 . . . . 100.0 113.775 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 88.7 tt0 -74.46 128.09 34.69 Favored 'General case' 0 CA--C 1.497 -1.06 0 N-CA-C 107.022 -1.473 . . . . 100.0 107.022 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -102.53 130.78 49.47 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 122.061 0.934 . . . . 100.0 109.571 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.48 -45.78 91.47 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 113.989 -1.459 . . . . 100.0 112.201 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.34 -42.34 96.3 Favored 'General case' 0 CA--C 1.499 -1.003 0 C-N-CA 123.816 0.846 . . . . 100.0 113.193 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.544 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 69.9 p -85.45 86.48 7.37 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-O 121.97 0.891 . . . . 100.0 110.501 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -91.49 105.25 17.62 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 106.849 -1.537 . . . . 100.0 106.849 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.65 -10.94 63.05 Favored Glycine 0 N--CA 1.434 -1.498 0 CA-C-N 113.745 -1.57 . . . . 100.0 113.586 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.544 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 20.5 mm-40 -68.48 -43.32 77.21 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 118.651 1.225 . . . . 100.0 110.375 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -63.99 -46.14 85.92 Favored 'General case' 0 CA--C 1.499 -1.016 0 C-N-CA 124.01 0.924 . . . . 100.0 110.385 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.2 t70 52.92 41.85 32.03 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 127.246 2.218 . . . . 100.0 110.861 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.1 t -103.85 -48.01 10.17 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 N-CA-C 105.843 -1.91 . . . . 100.0 105.843 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.443 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.374 42.7 m-85 -65.02 -38.01 89.52 Favored 'General case' 0 CA--C 1.489 -1.374 0 N-CA-C 116.928 2.195 . . . . 100.0 116.928 -178.768 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -61.32 -48.68 90.6 Favored Pre-proline 0 C--N 1.358 0.977 0 CA-C-O 116.888 -1.529 . . . . 100.0 111.473 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -77.45 -18.31 13.96 Favored 'Trans proline' 0 C--N 1.378 2.082 0 CA-C-N 122.451 1.911 . . . . 100.0 113.376 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.7 t70 53.35 45.58 28.13 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 126.732 2.013 . . . . 100.0 112.302 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.5 tp -112.95 124.95 53.79 Favored 'General case' 0 N--CA 1.432 -1.328 0 N-CA-C 105.755 -1.943 . . . . 100.0 105.755 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -113.16 124.1 51.76 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 104.263 -2.495 . . . . 100.0 104.263 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.6 mtm -114.92 115.36 26.79 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 106.417 -1.698 . . . . 100.0 106.417 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.464 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 51.0 mt-10 -64.04 -42.38 97.09 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-N 113.966 -1.47 . . . . 100.0 112.314 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.3 t -61.66 -43.88 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.825 0 C-N-CA 125.094 1.357 . . . . 100.0 110.432 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.58 -48.23 89.2 Favored 'Isoleucine or valine' 0 C--N 1.36 1.049 0 CA-C-O 118.593 -0.718 . . . . 100.0 111.069 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.464 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.444 21.5 p90 -69.72 -39.26 76.96 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 116.003 1.853 . . . . 100.0 116.003 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -84.77 73.04 10.67 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 122.312 1.053 . . . . 100.0 110.939 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.435 ' HG1' ' HE2' ' A' ' 36' ' ' TYR . 92.0 m -66.65 -40.29 88.6 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 125.768 1.627 . . . . 100.0 108.084 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.262 1.751 0 N-CA-C 106.83 -1.544 . . . . 100.0 106.83 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.38 0 N-CA-C 110.009 -1.237 . . . . 100.0 110.009 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.04 152.62 47.73 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 113.46 -1.37 . . . . 100.0 108.558 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.5 m -84.38 83.22 8.07 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 105.994 -1.854 . . . . 100.0 105.994 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.68 141.69 46.16 Favored 'General case' 0 N--CA 1.427 -1.621 0 N-CA-C 104.133 -2.543 . . . . 100.0 104.133 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.55 36.42 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.281 -0.872 . . . . 100.0 110.73 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.14 28.66 18.02 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 113.038 -1.892 . . . . 100.0 112.731 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.8 p 51.73 43.37 30.01 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 126.8 2.04 . . . . 100.0 113.056 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -73.21 138.58 45.7 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 107.83 -1.174 . . . . 100.0 107.83 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -77.98 130.18 36.2 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 107.009 -1.478 . . . . 100.0 107.009 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.63 -42.05 99.37 Favored 'General case' 0 CA--C 1.494 -1.177 0 N-CA-C 117.586 2.439 . . . . 100.0 117.586 -177.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.25 15.5 pm0 -71.19 157.23 38.51 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 122.382 1.087 . . . . 100.0 113.435 -177.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -81.79 87.32 6.35 Favored 'General case' 0 N--CA 1.431 -1.403 0 CA-C-N 113.935 -1.484 . . . . 100.0 109.177 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.423 HD11 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.06 -11.01 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 N-CA-C 119.548 3.166 . . . . 100.0 119.548 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.6 t -64.14 147.36 52.43 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 119.768 1.167 . . . . 100.0 109.178 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.12 92.28 Favored 'General case' 0 CA--C 1.497 -1.079 0 C-N-CA 125.324 1.45 . . . . 100.0 113.119 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.8 m80 -62.99 -42.31 99.81 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-O 117.253 -1.356 . . . . 100.0 112.918 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 p 164.05 -47.99 0.0 OUTLIER 'General case' 0 C--N 1.377 1.785 0 O-C-N 124.765 1.291 . . . . 100.0 113.215 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.529 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.68 -179.13 7.09 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 116.35 1.981 . . . . 100.0 116.35 -176.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 20' ' ' PHE . 84.8 m -72.48 164.87 25.69 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 119.841 -1.787 . . . . 100.0 109.258 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' HD13 ' A' ' 13' ' ' ILE . 84.5 t80 -60.12 -42.69 95.29 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 126.81 2.044 . . . . 100.0 107.994 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.17 -38.91 92.74 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.955 1.702 . . . . 100.0 110.431 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -91.01 12.12 20.77 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 126.562 1.945 . . . . 100.0 112.276 -178.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.86 -41.58 89.41 Favored Pre-proline 0 N--CA 1.441 -0.89 0 CA-C-O 115.392 -2.242 . . . . 100.0 113.283 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.15 -33.78 98.36 Favored 'Trans proline' 0 C--N 1.379 2.174 0 CA-C-N 124.094 2.498 . . . . 100.0 112.442 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.15 -23.51 64.88 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.101 0.96 . . . . 100.0 112.512 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.0 m -61.05 -35.87 78.08 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 125.028 1.331 . . . . 100.0 110.459 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.81 -38.34 85.07 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.028 1.331 . . . . 100.0 110.557 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.5 139.05 56.99 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 106.758 -1.571 . . . . 100.0 106.758 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.403 HD23 ' H ' ' A' ' 49' ' ' LEU . 8.1 mp -94.43 15.13 18.5 Favored 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 114.601 1.334 . . . . 100.0 114.601 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.43 -43.22 96.99 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 125.897 1.679 . . . . 100.0 110.74 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -63.84 -38.77 92.34 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 125.919 1.688 . . . . 100.0 110.131 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.783 ' HA ' ' HE1' ' A' ' 44' ' ' TRP . 70.6 mtt180 -61.82 -41.48 97.84 Favored 'General case' 0 CA--C 1.494 -1.2 0 C-N-CA 124.166 0.987 . . . . 100.0 111.803 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -65.93 147.57 53.16 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.39 -0.967 . . . . 100.0 108.39 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.1 -6.92 64.19 Favored Glycine 0 C--N 1.348 1.237 0 CA-C-O 118.538 -1.146 . . . . 100.0 113.23 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -88.24 138.06 31.78 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 118.802 1.301 . . . . 100.0 108.774 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -61.02 -48.62 80.94 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 124.615 1.166 . . . . 100.0 113.502 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -129.83 125.36 35.51 Favored 'General case' 0 CA--C 1.481 -1.694 0 CA-C-N 118.576 0.625 . . . . 100.0 110.466 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.6 mt -66.6 -39.38 88.34 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 124.435 1.094 . . . . 100.0 109.546 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.77 -23.11 67.05 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 126.507 1.923 . . . . 100.0 114.35 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -61.06 129.42 41.27 Favored 'General case' 0 C--N 1.366 1.304 0 N-CA-C 108.337 -0.986 . . . . 100.0 108.337 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -86.13 126.03 33.92 Favored 'General case' 0 CA--C 1.488 -1.415 0 N-CA-C 114.611 1.337 . . . . 100.0 114.611 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' HG3' ' HB3' ' A' ' 44' ' ' TRP . 10.9 pt-20 -157.75 -172.92 4.14 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 126.337 1.855 . . . . 100.0 108.568 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.84 -40.48 92.98 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 124.247 1.019 . . . . 100.0 111.657 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.783 ' HE1' ' HA ' ' A' ' 32' ' ' ARG 0.34 74.5 t90 -57.58 137.52 56.26 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 130.46 3.504 . . . . 100.0 106.303 178.519 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -79.56 121.06 82.19 Favored Pre-proline 0 C--N 1.359 0.988 0 N-CA-C 112.213 0.449 . . . . 100.0 112.213 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -60.03 -37.01 87.59 Favored 'Trans proline' 0 C--N 1.372 1.804 0 C-N-CA 124.663 3.575 . . . . 100.0 114.843 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -78.51 128.4 33.51 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 106.522 -1.658 . . . . 100.0 106.522 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' HA ' HH11 ' A' ' 32' ' ' ARG . 57.0 mt-10 -100.2 131.15 46.31 Favored 'General case' 0 N--CA 1.432 -1.344 0 O-C-N 124.275 0.984 . . . . 100.0 110.22 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.403 ' H ' HD23 ' A' ' 29' ' ' LEU . 73.3 mt -62.86 -44.87 94.98 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 125.098 1.359 . . . . 100.0 112.417 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.38 -44.11 95.68 Favored 'General case' 0 CA--C 1.501 -0.938 0 C-N-CA 124.108 0.963 . . . . 100.0 112.99 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.541 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 26.4 p -87.21 83.21 7.44 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 121.967 0.889 . . . . 100.0 109.102 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -88.74 102.99 15.55 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 108.094 -1.076 . . . . 100.0 108.094 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.08 -11.06 63.72 Favored Glycine 0 N--CA 1.436 -1.36 0 CA-C-N 114.53 -1.213 . . . . 100.0 113.253 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.541 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 63.0 mm-40 -69.83 -41.49 74.89 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 118.47 1.135 . . . . 100.0 110.597 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -62.39 -46.86 86.69 Favored 'General case' 0 CA--C 1.498 -1.036 0 C-N-CA 124.494 1.118 . . . . 100.0 109.413 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.6 t0 52.5 40.24 29.37 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 127.945 2.498 . . . . 100.0 110.743 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -103.88 -47.75 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.908 0 N-CA-C 105.82 -1.918 . . . . 100.0 105.82 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.352 45.6 m-85 -64.45 -38.7 91.93 Favored 'General case' 0 CA--C 1.487 -1.473 0 N-CA-C 116.849 2.166 . . . . 100.0 116.849 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.425 ' HB2' ' HD3' ' A' ' 60' ' ' PRO . 60.2 m-20 -62.0 -48.0 89.61 Favored Pre-proline 0 C--N 1.358 0.943 0 CA-C-O 117.219 -1.372 . . . . 100.0 110.795 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' A' ' 59' ' ' ASP . 33.1 Cg_exo -71.01 -25.81 22.43 Favored 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 122.12 1.88 . . . . 100.0 113.173 177.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t70 54.66 43.44 30.17 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 127.163 2.185 . . . . 100.0 111.268 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.7 tp -111.87 127.26 55.78 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 106.091 -1.818 . . . . 100.0 106.091 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -110.53 129.2 55.85 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 107.275 -1.38 . . . . 100.0 107.275 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 94.2 mmm -111.62 105.01 13.43 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 103.314 -2.847 . . . . 100.0 103.314 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.482 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 51.3 mt-10 -63.12 -42.95 99.64 Favored 'General case' 0 CA--C 1.492 -1.276 0 N-CA-C 114.767 1.395 . . . . 100.0 114.767 -178.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.6 t -62.24 -42.95 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 C-N-CA 124.516 1.127 . . . . 100.0 109.684 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.1 t -62.26 -49.16 85.1 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 CA-C-O 118.042 -0.98 . . . . 100.0 110.858 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.482 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.379 10.2 p90 -69.15 -38.35 78.74 Favored 'General case' 0 C--N 1.362 1.111 0 N-CA-C 115.13 1.529 . . . . 100.0 115.13 -179.483 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -81.8 83.58 7.12 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-O 122.998 1.38 . . . . 100.0 112.31 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.7 m -65.95 -39.97 90.92 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 113.278 -1.783 . . . . 100.0 107.092 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.569 ' H ' HE21 ' A' ' 71' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.675 0 N-CA-C 107.414 -1.328 . . . . 100.0 107.414 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.339 0 N-CA-C 109.992 -1.243 . . . . 100.0 109.992 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.07 152.6 47.78 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 113.43 -1.385 . . . . 100.0 108.582 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 83.3 m -84.44 83.31 8.04 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 105.956 -1.868 . . . . 100.0 105.956 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.75 141.72 46.22 Favored 'General case' 0 N--CA 1.427 -1.619 0 N-CA-C 104.12 -2.548 . . . . 100.0 104.12 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.57 36.54 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 115.301 -0.863 . . . . 100.0 110.741 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.05 28.73 18.09 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 113.033 -1.894 . . . . 100.0 112.771 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.2 p 51.65 43.41 29.87 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 126.797 2.039 . . . . 100.0 113.063 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.27 138.6 45.6 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 107.808 -1.182 . . . . 100.0 107.808 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.01 130.14 36.13 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 106.971 -1.492 . . . . 100.0 106.971 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.58 -42.02 99.3 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 117.624 2.453 . . . . 100.0 117.624 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.25 15.5 pm0 -71.15 157.21 38.55 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-O 122.378 1.085 . . . . 100.0 113.43 -177.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.75 87.19 6.34 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 113.974 -1.466 . . . . 100.0 109.255 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.425 HD11 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.06 -10.93 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 119.56 3.17 . . . . 100.0 119.56 -178.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.1 147.35 52.41 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-N 119.816 1.189 . . . . 100.0 109.198 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.06 92.16 Favored 'General case' 0 CA--C 1.497 -1.085 0 C-N-CA 125.261 1.424 . . . . 100.0 113.167 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.6 m80 -63.08 -42.23 99.59 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 117.254 -1.355 . . . . 100.0 112.93 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.05 -48.02 0.0 OUTLIER 'General case' 0 C--N 1.376 1.76 0 O-C-N 124.713 1.258 . . . . 100.0 113.192 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.53 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.5 mtt -80.67 -179.18 7.11 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 116.314 1.968 . . . . 100.0 116.314 -176.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 20' ' ' PHE . 83.1 m -72.39 164.84 25.68 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 119.747 -1.845 . . . . 100.0 109.296 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' HD13 ' A' ' 13' ' ' ILE . 84.5 t80 -60.13 -42.63 95.2 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 126.834 2.053 . . . . 100.0 108.018 178.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.22 -38.92 92.78 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.896 1.678 . . . . 100.0 110.385 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -91.0 12.14 20.65 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 126.56 1.944 . . . . 100.0 112.253 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.82 -41.64 89.79 Favored Pre-proline 0 N--CA 1.441 -0.91 0 CA-C-O 115.424 -2.227 . . . . 100.0 113.26 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -59.17 -33.79 98.31 Favored 'Trans proline' 0 C--N 1.38 2.193 0 CA-C-N 124.056 2.484 . . . . 100.0 112.457 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.06 -23.53 64.97 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 124.119 0.968 . . . . 100.0 112.582 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.53 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.5 m -61.07 -35.88 78.13 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 125.058 1.343 . . . . 100.0 110.374 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.86 -38.38 85.36 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.097 1.359 . . . . 100.0 110.551 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.43 139.07 57.09 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 106.807 -1.553 . . . . 100.0 106.807 177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.47 14.82 19.5 Favored 'General case' 0 N--CA 1.434 -1.275 0 N-CA-C 114.577 1.325 . . . . 100.0 114.577 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.58 -42.1 95.99 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 125.78 1.632 . . . . 100.0 110.939 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -62.04 -43.56 98.57 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 125.357 1.463 . . . . 100.0 110.999 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -63.6 -39.94 95.67 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 124.351 1.061 . . . . 100.0 111.608 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -66.03 149.04 50.87 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 124.183 0.993 . . . . 100.0 109.868 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.34 4.4 66.33 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 119.035 -0.869 . . . . 100.0 113.493 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -99.38 144.48 28.44 Favored 'General case' 0 CA--C 1.493 -1.234 0 CA-C-N 118.139 0.97 . . . . 100.0 110.367 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -59.87 -49.23 78.51 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 125.353 1.461 . . . . 100.0 114.042 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.0 mt -131.91 121.91 24.78 Favored 'General case' 0 CA--C 1.485 -1.552 0 CA-C-N 118.785 0.72 . . . . 100.0 110.441 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.96 -37.64 81.81 Favored 'General case' 0 CA--C 1.499 -1.018 0 C-N-CA 124.217 1.007 . . . . 100.0 110.59 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.59 -24.7 67.7 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 126.498 1.919 . . . . 100.0 112.667 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.486 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 75.3 t80 -61.85 134.1 56.29 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 123.298 0.639 . . . . 100.0 110.45 -178.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -78.83 121.7 25.14 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-O 122.577 1.18 . . . . 100.0 110.742 -177.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -149.46 -177.94 6.14 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 126.849 2.06 . . . . 100.0 107.923 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -61.67 -42.51 99.02 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 124.587 1.155 . . . . 100.0 110.571 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.9 p90 -68.37 154.18 42.3 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-O 121.011 0.434 . . . . 100.0 110.622 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -78.22 124.85 85.73 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-N 115.88 -0.6 . . . . 100.0 109.856 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -59.5 -35.0 96.99 Favored 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 124.646 3.564 . . . . 100.0 114.113 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -75.37 128.56 35.64 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 107.219 -1.401 . . . . 100.0 107.219 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -104.01 129.96 51.65 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 123.669 0.606 . . . . 100.0 110.442 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.2 mt -63.58 -44.23 94.66 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 124.359 1.064 . . . . 100.0 112.439 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.57 -45.01 94.9 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 123.752 0.821 . . . . 100.0 113.208 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.446 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 52.6 p -88.41 84.43 6.82 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 121.757 0.789 . . . . 100.0 109.33 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -93.44 107.95 19.71 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 106.974 -1.491 . . . . 100.0 106.974 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.97 -12.21 62.64 Favored Glycine 0 N--CA 1.432 -1.575 0 CA-C-N 113.576 -1.647 . . . . 100.0 112.717 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.446 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 81.3 mt-10 -71.41 -42.19 68.64 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 118.987 1.393 . . . . 100.0 111.802 178.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -65.11 -41.82 94.57 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-O 118.923 -0.561 . . . . 100.0 112.354 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . 0.281 71.3 m-20 52.71 42.85 31.8 Favored 'General case' 0 C--N 1.364 1.234 0 N-CA-C 114.229 1.196 . . . . 100.0 114.229 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.4 t -104.92 -50.36 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 105.285 -2.117 . . . . 100.0 105.285 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.313 42.7 m-85 -65.72 -38.92 90.49 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.42 2.008 . . . . 100.0 116.42 -178.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -62.24 -47.94 88.75 Favored Pre-proline 0 C--N 1.358 0.952 0 CA-C-O 117.156 -1.402 . . . . 100.0 112.816 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -76.55 -15.4 17.45 Favored 'Trans proline' 0 C--N 1.377 2.056 0 CA-C-N 121.92 1.722 . . . . 100.0 114.318 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 54.38 44.5 28.82 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 124.94 1.296 . . . . 100.0 113.552 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.31 125.24 49.84 Favored 'General case' 0 CA--C 1.494 -1.198 0 N-CA-C 106.999 -1.482 . . . . 100.0 106.999 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -113.34 117.56 32.13 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 103.121 -2.918 . . . . 100.0 103.121 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.4 mtm -120.14 108.91 14.81 Favored 'General case' 0 N--CA 1.432 -1.352 0 N-CA-C 106.094 -1.817 . . . . 100.0 106.094 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.485 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 50.2 mt-10 -64.09 -41.13 97.4 Favored 'General case' 0 CA--C 1.493 -1.235 0 CA-C-N 114.383 -1.28 . . . . 100.0 112.866 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.51 -44.12 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 C-N-CA 124.591 1.156 . . . . 100.0 110.14 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.18 -48.72 87.12 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 CA-C-O 118.383 -0.818 . . . . 100.0 111.163 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.486 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.388 15.7 p90 -69.51 -38.7 77.71 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 115.142 1.534 . . . . 100.0 115.142 -179.584 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -81.22 84.43 6.58 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-O 122.896 1.331 . . . . 100.0 113.206 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.7 m -65.81 -40.64 92.07 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 113.467 -1.697 . . . . 100.0 107.382 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 C--O 1.261 1.673 0 N-CA-C 107.727 -1.212 . . . . 100.0 107.727 179.588 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.362 0 N-CA-C 110.06 -1.216 . . . . 100.0 110.06 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -128.04 152.58 47.78 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 113.429 -1.386 . . . . 100.0 108.546 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.3 m -84.4 83.28 8.05 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 105.952 -1.87 . . . . 100.0 105.952 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.73 141.67 46.25 Favored 'General case' 0 N--CA 1.427 -1.593 0 N-CA-C 104.154 -2.536 . . . . 100.0 104.154 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.57 36.51 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 115.321 -0.854 . . . . 100.0 110.749 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.09 28.66 18.0 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 113.076 -1.875 . . . . 100.0 112.777 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.9 p 51.71 43.39 29.96 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.846 2.058 . . . . 100.0 113.048 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.28 138.57 45.57 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 107.837 -1.171 . . . . 100.0 107.837 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.03 130.21 36.2 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 107.0 -1.482 . . . . 100.0 107.0 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -62.56 -42.06 99.3 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 117.618 2.451 . . . . 100.0 117.618 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -71.28 157.27 38.41 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-O 122.399 1.095 . . . . 100.0 113.403 -177.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -81.78 87.25 6.35 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 113.916 -1.493 . . . . 100.0 109.198 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.429 HD11 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.07 -10.95 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 N-CA-C 119.5 3.148 . . . . 100.0 119.5 -178.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.06 147.34 52.38 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 119.872 1.214 . . . . 100.0 109.22 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.07 92.46 Favored 'General case' 0 CA--C 1.497 -1.095 0 C-N-CA 125.24 1.416 . . . . 100.0 113.145 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.509 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -63.01 -42.28 99.77 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 117.291 -1.337 . . . . 100.0 112.914 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 p 164.05 -48.06 0.0 OUTLIER 'General case' 0 C--N 1.377 1.782 0 O-C-N 124.691 1.244 . . . . 100.0 113.215 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.528 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.65 -179.15 7.09 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 116.357 1.984 . . . . 100.0 116.357 -176.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 20' ' ' PHE . 84.5 m -72.5 164.83 25.77 Favored 'General case' 0 C--N 1.36 1.023 0 O-C-N 119.818 -1.801 . . . . 100.0 109.266 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.423 ' HB2' HD13 ' A' ' 13' ' ' ILE . 84.4 t80 -60.06 -42.65 94.98 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 126.811 2.044 . . . . 100.0 108.029 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.23 -38.9 92.69 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.932 1.693 . . . . 100.0 110.391 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -90.99 12.06 20.91 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 126.541 1.937 . . . . 100.0 112.251 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -58.81 -41.57 89.41 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-O 115.432 -2.223 . . . . 100.0 113.318 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.21 -33.75 98.16 Favored 'Trans proline' 0 C--N 1.379 2.182 0 CA-C-N 124.065 2.487 . . . . 100.0 112.469 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.14 -23.5 64.89 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 124.134 0.973 . . . . 100.0 112.539 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.528 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.3 m -61.04 -35.9 78.14 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 125.032 1.333 . . . . 100.0 110.402 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.89 -38.27 85.1 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 124.999 1.319 . . . . 100.0 110.567 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.49 139.05 57.01 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 106.753 -1.573 . . . . 100.0 106.753 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.45 11.35 31.03 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 114.596 1.332 . . . . 100.0 114.596 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -61.83 -38.92 89.98 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 113.449 0.907 . . . . 100.0 113.449 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -61.95 -42.34 99.0 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 124.178 0.991 . . . . 100.0 110.072 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -63.51 -39.96 95.8 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 124.214 1.006 . . . . 100.0 111.086 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -68.33 152.54 45.28 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.395 0.678 . . . . 100.0 110.001 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.88 6.3 63.67 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 115.791 -0.64 . . . . 100.0 112.202 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -103.89 144.67 31.21 Favored 'General case' 0 CA--C 1.494 -1.178 0 CA-C-O 121.628 0.728 . . . . 100.0 109.291 177.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -60.06 -49.22 78.5 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.373 1.469 . . . . 100.0 113.897 -177.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -132.84 125.2 29.47 Favored 'General case' 0 CA--C 1.486 -1.493 0 CA-C-N 118.93 0.786 . . . . 100.0 110.01 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.83 -38.1 85.79 Favored 'General case' 0 CA--C 1.498 -1.05 0 C-N-CA 124.715 1.206 . . . . 100.0 110.393 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.75 -25.02 67.99 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 126.795 2.038 . . . . 100.0 112.902 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -62.12 131.63 50.16 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 123.955 0.902 . . . . 100.0 109.098 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -82.9 123.75 29.69 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 122.325 1.06 . . . . 100.0 112.573 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -148.48 -171.8 3.93 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 127.652 2.381 . . . . 100.0 107.967 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.3 -43.5 96.25 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 125.17 1.388 . . . . 100.0 111.895 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 29.7 p90 -69.95 156.75 38.65 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 122.822 0.449 . . . . 100.0 110.71 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -78.29 124.63 85.67 Favored Pre-proline 0 N--CA 1.443 -0.825 0 N-CA-C 108.979 -0.748 . . . . 100.0 108.979 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -59.35 -36.19 94.92 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 124.386 3.39 . . . . 100.0 113.629 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.477 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.7 tt0 -79.22 127.72 32.4 Favored 'General case' 0 CA--C 1.495 -1.142 0 N-CA-C 105.32 -2.104 . . . . 100.0 105.32 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -98.72 129.63 45.18 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-O 121.983 0.897 . . . . 100.0 109.706 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.59 -47.38 85.73 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 125.658 1.583 . . . . 100.0 113.616 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.3 -40.86 90.28 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 113.347 0.869 . . . . 100.0 113.347 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.53 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 60.7 p -84.64 83.21 8.1 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-O 121.836 0.827 . . . . 100.0 109.629 -178.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -90.89 106.17 18.33 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 106.478 -1.675 . . . . 100.0 106.478 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.35 -12.76 61.82 Favored Glycine 0 N--CA 1.434 -1.493 0 CA-C-N 113.96 -1.473 . . . . 100.0 113.732 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.53 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 64.8 mt-10 -69.79 -42.18 74.1 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 118.465 1.133 . . . . 100.0 111.029 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -63.84 -43.69 95.41 Favored 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 124.258 1.023 . . . . 100.0 110.903 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.2 t70 53.87 43.04 31.49 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.552 1.941 . . . . 100.0 111.558 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.6 t -102.85 -48.43 10.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 N-CA-C 104.833 -2.284 . . . . 100.0 104.833 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.384 25.5 m-85 -64.52 -38.21 90.24 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 116.532 2.049 . . . . 100.0 116.532 -179.217 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' HB2' ' HD3' ' A' ' 60' ' ' PRO . 49.9 m-20 -62.06 -47.83 89.8 Favored Pre-proline 0 C--N 1.36 1.038 0 CA-C-O 116.967 -1.492 . . . . 100.0 111.2 178.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.427 ' HD3' ' HB2' ' A' ' 59' ' ' ASP . 32.3 Cg_exo -68.23 -25.32 36.92 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.611 2.207 . . . . 100.0 112.449 177.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 55.81 41.11 30.55 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 127.258 2.223 . . . . 100.0 111.93 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.6 tp -119.07 127.47 53.42 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 106.869 -1.53 . . . . 100.0 106.869 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -112.42 120.91 43.27 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 103.015 -2.958 . . . . 100.0 103.015 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 69.1 mtm -114.11 111.4 21.54 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 106.287 -1.746 . . . . 100.0 106.287 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.499 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 75.7 mt-10 -64.32 -40.52 96.08 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 114.392 -1.276 . . . . 100.0 112.968 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.38 -43.42 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 C-N-CA 124.828 1.251 . . . . 100.0 109.983 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.8 t -61.97 -47.73 91.85 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 CA-C-O 118.798 -0.62 . . . . 100.0 110.988 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.499 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.414 23.9 p90 -69.59 -38.05 77.17 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 115.3 1.593 . . . . 100.0 115.3 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -81.44 75.91 8.39 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 122.448 1.118 . . . . 100.0 111.731 -178.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.5 m -67.11 -41.56 86.02 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.684 1.194 . . . . 100.0 107.819 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.501 ' NE2' ' H ' ' A' ' 71' ' ' GLN . 2.1 pm0 . . . . . 0 C--O 1.262 1.729 0 C-N-CA 124.402 1.081 . . . . 100.0 108.883 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.359 0 N-CA-C 110.013 -1.235 . . . . 100.0 110.013 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.07 152.63 47.74 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 113.4 -1.4 . . . . 100.0 108.568 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.3 m -84.42 83.26 8.05 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 105.981 -1.859 . . . . 100.0 105.981 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.73 141.71 46.2 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 104.117 -2.549 . . . . 100.0 104.117 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.82 128.57 36.52 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 115.278 -0.874 . . . . 100.0 110.779 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.06 28.66 18.0 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 113.082 -1.872 . . . . 100.0 112.822 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.1 p 51.68 43.44 29.89 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 126.832 2.053 . . . . 100.0 113.028 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.0 m -73.3 138.55 45.52 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 107.813 -1.18 . . . . 100.0 107.813 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.22 36.21 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 106.991 -1.485 . . . . 100.0 106.991 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -62.61 -41.99 99.32 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 117.627 2.455 . . . . 100.0 117.627 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . 0.25 15.5 pm0 -71.2 157.24 38.49 Favored 'General case' 0 CA--C 1.498 -1.056 0 CA-C-O 122.39 1.09 . . . . 100.0 113.419 -177.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -81.78 87.26 6.35 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 113.964 -1.471 . . . . 100.0 109.238 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.421 HD13 ' HB2' ' A' ' 20' ' ' PHE . 2.2 pp -84.02 -11.04 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 N-CA-C 119.548 3.166 . . . . 100.0 119.548 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.08 147.33 52.42 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 119.79 1.177 . . . . 100.0 109.186 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.06 92.12 Favored 'General case' 0 CA--C 1.497 -1.095 0 C-N-CA 125.262 1.425 . . . . 100.0 113.184 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.504 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -63.13 -42.21 99.47 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 117.253 -1.356 . . . . 100.0 112.909 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.3 p 164.01 -47.97 0.0 OUTLIER 'General case' 0 C--N 1.376 1.759 0 O-C-N 124.666 1.229 . . . . 100.0 113.279 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.529 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.5 mtt -80.73 -179.15 7.12 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 116.35 1.981 . . . . 100.0 116.35 -176.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 20' ' ' PHE . 83.9 m -72.4 164.87 25.64 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 119.773 -1.829 . . . . 100.0 109.292 -178.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.421 ' HB2' HD13 ' A' ' 13' ' ' ILE . 84.5 t80 -60.16 -42.62 95.32 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 126.823 2.049 . . . . 100.0 108.01 178.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.21 -38.92 92.78 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.937 1.695 . . . . 100.0 110.417 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -91.04 12.19 20.59 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.523 1.929 . . . . 100.0 112.265 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.9 -41.54 89.16 Favored Pre-proline 0 N--CA 1.441 -0.912 0 CA-C-O 115.375 -2.25 . . . . 100.0 113.311 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.2 -33.77 98.19 Favored 'Trans proline' 0 C--N 1.378 2.13 0 CA-C-N 124.085 2.495 . . . . 100.0 112.455 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.09 -23.55 64.94 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 124.104 0.961 . . . . 100.0 112.562 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 92.8 m -61.01 -35.9 78.09 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 124.98 1.312 . . . . 100.0 110.455 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.81 -38.34 85.07 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 125.044 1.338 . . . . 100.0 110.58 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.46 139.12 57.04 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 106.768 -1.567 . . . . 100.0 106.768 177.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.54 11.69 30.03 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 114.548 1.314 . . . . 100.0 114.548 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -60.75 -41.08 94.7 Favored 'General case' 0 CA--C 1.501 -0.917 0 C-N-CA 124.493 1.117 . . . . 100.0 111.725 -178.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -63.1 -39.6 95.17 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 125.061 1.344 . . . . 100.0 109.9 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.766 ' HA ' ' HE1' ' A' ' 44' ' ' TRP . 86.2 mtt180 -61.91 -41.83 98.38 Favored 'General case' 0 CA--C 1.493 -1.234 0 C-N-CA 124.325 1.05 . . . . 100.0 112.286 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -66.9 147.26 53.47 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 109.147 -0.686 . . . . 100.0 109.147 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.56 -7.85 68.56 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-O 118.267 -1.296 . . . . 100.0 113.955 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -81.04 149.74 29.13 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 119.247 1.524 . . . . 100.0 110.459 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -60.43 -50.17 74.67 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 113.976 1.102 . . . . 100.0 113.976 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.2 tp -142.04 129.64 21.46 Favored 'General case' 0 CA--C 1.488 -1.438 0 N-CA-C 107.897 -1.149 . . . . 100.0 107.897 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.15 -40.61 96.52 Favored 'General case' 0 CA--C 1.499 -0.988 0 C-N-CA 124.403 1.081 . . . . 100.0 111.507 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.76 -22.5 66.94 Favored 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.838 1.655 . . . . 100.0 114.635 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.502 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 86.7 t80 -60.86 130.58 47.19 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 109.088 -0.708 . . . . 100.0 109.088 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -87.47 123.9 32.87 Favored 'General case' 0 CA--C 1.487 -1.463 0 CA-C-O 122.901 1.334 . . . . 100.0 113.754 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.455 ' HG3' ' HB3' ' A' ' 44' ' ' TRP . 10.7 pt-20 -153.76 -173.3 4.52 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 112.762 -2.017 . . . . 100.0 106.956 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -61.5 -39.78 92.21 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 123.608 0.763 . . . . 100.0 112.063 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.766 ' HE1' ' HA ' ' A' ' 32' ' ' ARG 0.339 64.9 t90 -57.66 137.34 56.54 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 130.446 3.498 . . . . 100.0 106.161 178.342 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -78.31 120.26 80.46 Favored Pre-proline 0 C--N 1.362 1.15 0 N-CA-C 112.686 0.624 . . . . 100.0 112.686 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -60.78 -36.49 84.06 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 124.301 3.334 . . . . 100.0 114.033 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.465 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.8 tt0 -79.9 127.83 32.72 Favored 'General case' 0 CA--C 1.492 -1.256 0 N-CA-C 105.537 -2.023 . . . . 100.0 105.537 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -101.67 130.36 48.01 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 121.642 0.734 . . . . 100.0 109.619 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.8 mt -61.74 -46.38 89.88 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 124.994 1.318 . . . . 100.0 113.002 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.55 -42.73 95.52 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 113.598 0.962 . . . . 100.0 113.598 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.485 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 47.8 p -86.32 82.87 7.84 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 121.8 0.81 . . . . 100.0 110.006 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -92.13 107.08 18.95 Favored 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 106.79 -1.559 . . . . 100.0 106.79 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.95 -13.68 60.63 Favored Glycine 0 N--CA 1.433 -1.508 0 CA-C-N 113.906 -1.497 . . . . 100.0 113.269 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.485 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 91.5 mt-10 -70.71 -40.45 72.82 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 118.987 1.394 . . . . 100.0 110.821 178.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -62.46 -44.85 95.42 Favored 'General case' 0 CA--C 1.498 -1.028 0 C-N-CA 125.202 1.401 . . . . 100.0 111.686 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 54.05 41.06 32.17 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 125.231 1.412 . . . . 100.0 112.171 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.6 t -105.87 -51.65 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 N-CA-C 105.846 -1.909 . . . . 100.0 105.846 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.337 26.1 m-85 -65.41 -38.75 90.87 Favored 'General case' 0 CA--C 1.486 -1.487 0 N-CA-C 116.851 2.167 . . . . 100.0 116.851 -178.787 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -61.69 -48.35 90.04 Favored Pre-proline 0 C--N 1.356 0.884 0 CA-C-O 116.861 -1.542 . . . . 100.0 112.337 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -75.04 -18.12 18.9 Favored 'Trans proline' 0 C--N 1.379 2.158 0 CA-C-N 122.308 1.86 . . . . 100.0 112.984 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 54.11 45.12 28.13 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.314 1.846 . . . . 100.0 111.938 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.0 mt -108.15 127.15 53.56 Favored 'General case' 0 CA--C 1.491 -1.293 0 N-CA-C 107.166 -1.42 . . . . 100.0 107.166 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -113.71 118.8 35.35 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 103.084 -2.932 . . . . 100.0 103.084 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.2 mtm -116.26 112.04 21.02 Favored 'General case' 0 CA--C 1.491 -1.315 0 N-CA-C 105.552 -2.018 . . . . 100.0 105.552 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 63.7 mt-10 -63.93 -42.35 97.38 Favored 'General case' 0 CA--C 1.493 -1.212 0 CA-C-N 114.072 -1.422 . . . . 100.0 112.89 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.39 -44.6 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 C-N-CA 125.029 1.331 . . . . 100.0 110.401 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.2 t -62.42 -48.64 87.37 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 CA-C-O 118.618 -0.706 . . . . 100.0 111.45 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.502 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.372 8.4 p90 -70.1 -39.18 75.69 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 115.092 1.516 . . . . 100.0 115.092 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -82.72 74.54 9.67 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-O 122.304 1.05 . . . . 100.0 113.777 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.6 m -69.12 -40.76 78.11 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 105.73 -1.952 . . . . 100.0 105.73 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 . . . . . 0 C--O 1.26 1.636 0 C-N-CA 124.956 1.302 . . . . 100.0 107.694 179.077 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.41 0 N-CA-C 110.064 -1.214 . . . . 100.0 110.064 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -127.96 152.6 47.7 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 113.415 -1.393 . . . . 100.0 108.589 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.1 m -84.42 83.28 8.05 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 105.991 -1.855 . . . . 100.0 105.991 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.75 141.67 46.28 Favored 'General case' 0 N--CA 1.428 -1.566 0 N-CA-C 104.135 -2.543 . . . . 100.0 104.135 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.81 128.53 36.35 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 115.329 -0.85 . . . . 100.0 110.762 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.04 28.72 18.08 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.045 -1.889 . . . . 100.0 112.776 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.3 p 51.73 43.36 30.02 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 126.816 2.047 . . . . 100.0 113.029 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.26 138.58 45.6 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 107.838 -1.171 . . . . 100.0 107.838 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.19 36.18 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 106.942 -1.503 . . . . 100.0 106.942 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.6 -42.0 99.31 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 117.655 2.465 . . . . 100.0 117.655 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -71.26 157.25 38.44 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-O 122.398 1.094 . . . . 100.0 113.411 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -81.73 87.28 6.33 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 113.913 -1.494 . . . . 100.0 109.216 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.423 HD11 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.09 -10.99 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 N-CA-C 119.499 3.148 . . . . 100.0 119.499 -178.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.11 147.33 52.47 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 119.809 1.186 . . . . 100.0 109.193 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.65 -42.06 91.94 Favored 'General case' 0 CA--C 1.497 -1.087 0 C-N-CA 125.234 1.414 . . . . 100.0 113.203 -176.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.8 m80 -63.07 -42.26 99.63 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-O 117.281 -1.343 . . . . 100.0 112.868 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.01 -48.05 0.0 OUTLIER 'General case' 0 C--N 1.377 1.788 0 O-C-N 124.673 1.233 . . . . 100.0 113.214 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.528 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.3 mtt -80.62 -179.16 7.08 Favored 'General case' 0 CA--C 1.504 -0.817 0 N-CA-C 116.343 1.979 . . . . 100.0 116.343 -176.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 20' ' ' PHE . 84.6 m -72.46 164.88 25.67 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 119.807 -1.808 . . . . 100.0 109.24 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.422 ' HB2' HD13 ' A' ' 13' ' ' ILE . 84.4 t80 -60.1 -42.71 95.26 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 126.873 2.069 . . . . 100.0 107.982 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.15 -38.99 93.06 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 125.955 1.702 . . . . 100.0 110.374 178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -90.98 12.15 20.6 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 126.506 1.922 . . . . 100.0 112.277 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -58.84 -41.56 89.33 Favored Pre-proline 0 N--CA 1.44 -0.951 0 CA-C-O 115.432 -2.223 . . . . 100.0 113.328 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -59.22 -33.75 98.1 Favored 'Trans proline' 0 C--N 1.379 2.175 0 CA-C-N 124.081 2.493 . . . . 100.0 112.446 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.07 -23.54 64.96 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 124.138 0.975 . . . . 100.0 112.527 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.528 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.3 m -61.07 -35.9 78.18 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.073 1.349 . . . . 100.0 110.385 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.85 -38.35 85.25 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.063 1.345 . . . . 100.0 110.541 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.49 139.08 57.0 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 106.757 -1.572 . . . . 100.0 106.757 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.46 16.47 15.19 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 114.583 1.327 . . . . 100.0 114.583 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -59.99 -45.0 94.15 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 125.436 1.494 . . . . 100.0 111.812 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -61.76 -44.21 97.35 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.034 1.333 . . . . 100.0 111.452 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -63.66 -39.74 95.09 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 126.333 1.853 . . . . 100.0 111.99 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -69.79 148.67 48.84 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 109.024 -0.732 . . . . 100.0 109.024 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.45 -8.36 69.05 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-O 118.435 -1.203 . . . . 100.0 113.137 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -81.58 142.95 32.33 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 118.927 1.363 . . . . 100.0 109.044 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -61.39 -48.33 81.71 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 124.075 0.95 . . . . 100.0 113.546 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.68 124.3 33.27 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 118.729 0.695 . . . . 100.0 110.617 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.9 -39.25 87.38 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 123.838 0.855 . . . . 100.0 110.169 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.71 -24.64 67.77 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 127.029 2.132 . . . . 100.0 113.522 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.406 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 89.0 t80 -60.47 132.96 55.56 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 123.454 0.701 . . . . 100.0 109.807 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -82.89 121.19 26.64 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.842 -1.072 . . . . 100.0 110.15 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.495 ' HG2' ' H ' ' A' ' 43' ' ' GLU . 30.4 tt0 -149.28 -177.4 5.82 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 104.488 -2.412 . . . . 100.0 104.488 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.495 ' H ' ' HG2' ' A' ' 42' ' ' GLU . 86.9 tt0 -61.46 -42.22 98.44 Favored 'General case' 0 C--N 1.356 0.853 0 O-C-N 121.012 -1.055 . . . . 100.0 111.735 -178.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.8 p-90 -65.87 149.42 50.22 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.427 0.691 . . . . 100.0 111.603 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -73.39 122.4 87.53 Favored Pre-proline 0 C--N 1.357 0.907 0 C-N-CA 123.322 0.649 . . . . 100.0 111.859 -177.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -59.79 -37.16 88.44 Favored 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 124.33 3.353 . . . . 100.0 113.934 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -79.46 127.58 32.29 Favored 'General case' 0 CA--C 1.49 -1.334 0 N-CA-C 105.602 -1.999 . . . . 100.0 105.602 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -102.15 133.0 47.71 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 122.054 0.93 . . . . 100.0 112.379 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.4 mt -62.17 -45.99 90.95 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 125.821 1.648 . . . . 100.0 112.578 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.77 -41.29 97.99 Favored 'General case' 0 CA--C 1.494 -1.198 0 C-N-CA 124.141 0.976 . . . . 100.0 112.399 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.451 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 72.6 p -85.05 88.28 7.45 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-O 121.469 0.652 . . . . 100.0 109.558 -178.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -95.12 99.85 11.76 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 104.409 -2.441 . . . . 100.0 104.409 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.51 -10.85 65.49 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 114.381 -1.281 . . . . 100.0 114.313 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.451 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 46.3 mt-10 -69.96 -42.57 73.0 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 118.772 1.286 . . . . 100.0 111.092 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -64.25 -43.89 93.47 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 124.062 0.945 . . . . 100.0 110.503 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.6 t70 52.61 41.67 31.29 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 127.867 2.467 . . . . 100.0 111.181 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.9 t -103.33 -48.2 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 N-CA-C 105.453 -2.054 . . . . 100.0 105.453 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.391 54.8 m-85 -66.01 -37.71 86.61 Favored 'General case' 0 CA--C 1.488 -1.439 0 N-CA-C 117.427 2.38 . . . . 100.0 117.427 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -61.23 -48.58 91.21 Favored Pre-proline 0 C--N 1.358 0.971 0 CA-C-O 116.814 -1.565 . . . . 100.0 111.128 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -74.73 -20.49 17.49 Favored 'Trans proline' 0 C--N 1.381 2.272 0 CA-C-N 122.302 1.858 . . . . 100.0 112.774 177.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.4 t70 53.47 45.33 28.48 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 127.946 2.498 . . . . 100.0 112.296 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.9 mt -110.75 125.68 53.78 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 105.315 -2.106 . . . . 100.0 105.315 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -111.94 123.64 50.67 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 104.646 -2.353 . . . . 100.0 104.646 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 64.3 mtt -111.47 111.04 21.78 Favored 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 105.52 -2.03 . . . . 100.0 105.52 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.448 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 50.7 mt-10 -63.92 -42.02 97.49 Favored 'General case' 0 CA--C 1.493 -1.216 0 CA-C-N 114.22 -1.355 . . . . 100.0 112.815 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.48 -44.36 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 C-N-CA 124.918 1.287 . . . . 100.0 110.344 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.5 t -62.52 -48.36 88.59 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 CA-C-O 118.017 -0.992 . . . . 100.0 111.169 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.343 6.5 p90 -68.66 -38.07 80.12 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 114.15 1.167 . . . . 100.0 114.15 -179.203 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -80.7 81.76 6.87 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-O 122.838 1.304 . . . . 100.0 113.673 -177.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.3 m -65.18 -42.49 93.57 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 113.548 -1.66 . . . . 100.0 106.708 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.259 1.558 0 C-N-CA 124.834 1.254 . . . . 100.0 108.41 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.387 0 N-CA-C 110.045 -1.222 . . . . 100.0 110.045 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.06 152.59 47.78 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 113.432 -1.384 . . . . 100.0 108.527 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.5 m -84.38 83.21 8.07 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 105.991 -1.855 . . . . 100.0 105.991 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.7 141.68 46.2 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 104.13 -2.544 . . . . 100.0 104.13 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.82 128.6 36.67 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 115.314 -0.857 . . . . 100.0 110.788 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.0 28.75 18.11 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 113.028 -1.896 . . . . 100.0 112.77 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 p 51.7 43.38 29.97 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.784 2.034 . . . . 100.0 113.059 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.32 138.56 45.49 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.796 -1.187 . . . . 100.0 107.796 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.01 130.22 36.22 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 106.99 -1.485 . . . . 100.0 106.99 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.59 -42.05 99.33 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 117.606 2.447 . . . . 100.0 117.606 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.4 ' HG2' HG21 ' A' ' 13' ' ' ILE 0.25 15.5 pm0 -71.18 157.21 38.54 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 122.388 1.09 . . . . 100.0 113.404 -177.767 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.75 87.25 6.34 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 113.912 -1.495 . . . . 100.0 109.273 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.425 HD11 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.09 -10.93 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 N-CA-C 119.502 3.149 . . . . 100.0 119.502 -178.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.13 147.34 52.46 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-N 119.795 1.179 . . . . 100.0 109.202 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.06 92.12 Favored 'General case' 0 CA--C 1.497 -1.084 0 C-N-CA 125.238 1.415 . . . . 100.0 113.139 -176.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -63.02 -42.32 99.78 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-O 117.289 -1.339 . . . . 100.0 112.891 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.03 -48.0 0.0 OUTLIER 'General case' 0 C--N 1.377 1.785 0 O-C-N 124.698 1.249 . . . . 100.0 113.231 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.531 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.3 mtt -80.63 -179.11 7.06 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 116.346 1.98 . . . . 100.0 116.346 -176.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 20' ' ' PHE . 83.4 m -72.51 164.83 25.78 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 119.795 -1.815 . . . . 100.0 109.299 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.417 ' HB2' HD13 ' A' ' 13' ' ' ILE . 84.5 t80 -60.04 -42.69 94.97 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.799 2.04 . . . . 100.0 108.021 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.14 -38.92 92.81 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 125.938 1.695 . . . . 100.0 110.445 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -91.06 12.13 20.83 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.596 1.958 . . . . 100.0 112.264 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.6 89.56 Favored Pre-proline 0 N--CA 1.441 -0.92 0 CA-C-O 115.421 -2.228 . . . . 100.0 113.272 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -59.25 -33.73 97.99 Favored 'Trans proline' 0 C--N 1.38 2.188 0 CA-C-N 124.034 2.476 . . . . 100.0 112.427 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.07 -23.59 64.97 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 124.144 0.978 . . . . 100.0 112.51 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 92.8 m -61.0 -35.93 78.14 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 125.094 1.358 . . . . 100.0 110.406 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.86 -38.32 85.16 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.079 1.351 . . . . 100.0 110.594 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.45 139.08 57.06 Favored 'General case' 0 C--N 1.36 1.043 0 N-CA-C 106.755 -1.572 . . . . 100.0 106.755 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.53 13.24 24.66 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 114.569 1.322 . . . . 100.0 114.569 -178.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -60.52 -42.29 96.15 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.338 1.055 . . . . 100.0 111.084 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -62.74 -43.96 97.44 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 125.414 1.486 . . . . 100.0 111.193 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -64.2 -42.91 96.44 Favored 'General case' 0 CA--C 1.497 -1.06 0 C-N-CA 123.928 0.891 . . . . 100.0 112.403 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -70.72 151.81 44.5 Favored 'General case' 0 CA--C 1.495 -1.149 0 CA-C-O 121.748 0.785 . . . . 100.0 113.078 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.64 7.12 63.4 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 115.12 -0.945 . . . . 100.0 111.745 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -103.68 148.46 26.01 Favored 'General case' 0 CA--C 1.49 -1.338 0 C-N-CA 123.484 0.714 . . . . 100.0 109.492 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -59.02 -49.43 77.92 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 114.906 1.447 . . . . 100.0 114.906 -175.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 68' ' ' PHE . 58.3 tp -138.97 125.0 19.96 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 116.623 -2.031 . . . . 100.0 109.898 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.57 -38.36 89.31 Favored 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 125.403 1.481 . . . . 100.0 111.215 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.32 -23.57 66.83 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 126.749 2.019 . . . . 100.0 112.705 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.52 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 90.6 t80 -62.15 130.47 45.61 Favored 'General case' 0 C--N 1.367 1.336 0 N-CA-C 108.384 -0.969 . . . . 100.0 108.384 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -89.52 122.84 33.08 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-O 122.758 1.266 . . . . 100.0 110.717 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -148.45 -165.88 2.39 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 113.086 -1.87 . . . . 100.0 106.668 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.8 -42.67 98.07 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-O 118.058 -0.972 . . . . 100.0 113.594 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.7 p90 -70.35 156.82 38.79 Favored 'General case' 0 C--N 1.362 1.147 0 CA-C-N 119.351 0.978 . . . . 100.0 111.522 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -76.66 123.1 87.57 Favored Pre-proline 0 N--CA 1.442 -0.842 0 N-CA-C 108.041 -1.096 . . . . 100.0 108.041 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -59.94 -34.63 95.07 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 124.392 3.395 . . . . 100.0 113.782 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -78.37 127.13 31.76 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 105.891 -1.892 . . . . 100.0 105.891 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -97.97 130.14 44.83 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-N 115.426 -0.806 . . . . 100.0 110.306 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -62.6 -46.33 88.78 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 114.535 -1.211 . . . . 100.0 112.994 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.34 -43.12 91.93 Favored 'General case' 0 CA--C 1.497 -1.081 0 N-CA-C 113.842 1.053 . . . . 100.0 113.842 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.498 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 47.4 p -87.28 80.64 8.16 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 121.237 0.541 . . . . 100.0 109.672 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -92.84 109.66 21.1 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 106.922 -1.511 . . . . 100.0 106.922 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.82 -14.55 61.43 Favored Glycine 0 N--CA 1.432 -1.574 0 CA-C-N 113.289 -1.778 . . . . 100.0 113.082 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.498 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 86.1 mt-10 -70.38 -43.11 70.75 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 118.712 1.256 . . . . 100.0 111.726 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -64.92 -43.93 91.18 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 123.658 0.783 . . . . 100.0 109.833 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.8 t70 51.78 43.82 29.75 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 127.86 2.464 . . . . 100.0 111.753 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.3 t -102.32 -48.23 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 N-CA-C 105.21 -2.144 . . . . 100.0 105.21 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.38 57.4 m-85 -65.56 -37.37 86.5 Favored 'General case' 0 N--CA 1.428 -1.573 0 N-CA-C 116.806 2.15 . . . . 100.0 116.806 -178.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -61.36 -48.47 91.02 Favored Pre-proline 0 C--N 1.36 1.048 0 CA-C-O 116.868 -1.539 . . . . 100.0 111.359 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -75.85 -18.87 16.63 Favored 'Trans proline' 0 C--N 1.379 2.146 0 CA-C-N 122.435 1.905 . . . . 100.0 112.741 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.2 t70 53.97 43.58 30.61 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 126.743 2.017 . . . . 100.0 112.985 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.8 tp -109.22 121.14 44.53 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 105.077 -2.194 . . . . 100.0 105.077 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -117.11 124.74 49.95 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 103.474 -2.788 . . . . 100.0 103.474 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 66.6 mtm -114.1 118.57 34.42 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 106.312 -1.736 . . . . 100.0 106.312 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.491 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 54.1 mt-10 -63.25 -43.06 99.06 Favored 'General case' 0 CA--C 1.492 -1.264 0 CA-C-N 114.055 -1.429 . . . . 100.0 113.347 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.53 -43.77 97.47 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 C-N-CA 124.704 1.202 . . . . 100.0 110.257 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.12 -48.07 90.21 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 CA-C-O 118.403 -0.808 . . . . 100.0 110.522 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.52 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.404 12.3 p90 -69.45 -39.19 77.92 Favored 'General case' 0 C--N 1.361 1.087 0 N-CA-C 115.476 1.658 . . . . 100.0 115.476 -179.666 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -81.72 76.79 8.62 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 122.888 1.328 . . . . 100.0 111.585 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.5 m -66.42 -40.93 89.83 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 126.076 1.75 . . . . 100.0 107.438 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.497 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.261 1.698 0 N-CA-C 108.085 -1.08 . . . . 100.0 108.085 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.349 0 N-CA-C 110.007 -1.237 . . . . 100.0 110.007 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -128.03 152.6 47.74 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 113.404 -1.398 . . . . 100.0 108.552 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.9 m -84.43 83.28 8.05 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 105.989 -1.856 . . . . 100.0 105.989 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.7 141.66 46.23 Favored 'General case' 0 N--CA 1.427 -1.594 0 N-CA-C 104.171 -2.529 . . . . 100.0 104.171 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.79 128.58 36.59 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 115.324 -0.853 . . . . 100.0 110.771 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.01 28.75 18.11 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 113.083 -1.871 . . . . 100.0 112.769 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.2 p 51.61 43.43 29.8 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 126.81 2.044 . . . . 100.0 113.067 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.3 138.59 45.54 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 107.832 -1.173 . . . . 100.0 107.832 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.01 130.24 36.25 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 107.003 -1.48 . . . . 100.0 107.003 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.63 -42.0 99.34 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 117.646 2.461 . . . . 100.0 117.646 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.5 pm0 -71.2 157.24 38.48 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-O 122.395 1.093 . . . . 100.0 113.447 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.78 87.29 6.35 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 113.961 -1.472 . . . . 100.0 109.221 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.424 HD11 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.05 -11.06 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 N-CA-C 119.527 3.158 . . . . 100.0 119.527 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.3 t -64.06 147.29 52.5 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 119.81 1.186 . . . . 100.0 109.228 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.41 ' HB2' ' HH ' ' A' ' 45' ' ' TYR . . . -59.63 -42.14 92.04 Favored 'General case' 0 CA--C 1.497 -1.07 0 C-N-CA 125.271 1.428 . . . . 100.0 113.152 -176.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.505 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.6 m80 -62.99 -42.31 99.81 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-O 117.257 -1.354 . . . . 100.0 112.903 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.6 p 164.04 -48.0 0.0 OUTLIER 'General case' 0 C--N 1.377 1.776 0 O-C-N 124.704 1.253 . . . . 100.0 113.23 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.53 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.65 -179.11 7.07 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 116.325 1.972 . . . . 100.0 116.325 -176.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 20' ' ' PHE . 86.5 m -72.52 164.82 25.79 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 119.814 -1.804 . . . . 100.0 109.244 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' HD13 ' A' ' 13' ' ' ILE . 84.5 t80 -60.0 -42.74 94.93 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 126.806 2.043 . . . . 100.0 108.018 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.13 -39.01 93.11 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 125.953 1.701 . . . . 100.0 110.416 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -90.94 12.09 20.69 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 126.548 1.939 . . . . 100.0 112.294 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.53 89.19 Favored Pre-proline 0 N--CA 1.44 -0.941 0 CA-C-O 115.407 -2.235 . . . . 100.0 113.322 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.22 -33.74 98.1 Favored 'Trans proline' 0 C--N 1.379 2.165 0 CA-C-N 124.095 2.498 . . . . 100.0 112.486 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.05 -23.6 64.98 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 124.145 0.978 . . . . 100.0 112.541 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.53 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.3 m -61.03 -35.93 78.19 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 125.039 1.336 . . . . 100.0 110.402 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.79 -38.35 85.03 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.024 1.33 . . . . 100.0 110.589 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.47 139.1 57.03 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 106.767 -1.568 . . . . 100.0 106.767 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.503 ' HG ' ' HD2' ' A' ' 32' ' ' ARG . 8.1 mp -94.5 16.95 14.04 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 114.579 1.326 . . . . 100.0 114.579 -178.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -60.63 -43.55 97.39 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.864 1.265 . . . . 100.0 110.702 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.44 -41.47 98.75 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.938 1.695 . . . . 100.0 111.55 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.717 ' HD3' ' HE1' ' A' ' 44' ' ' TRP . 68.4 mtt180 -61.49 -42.34 98.64 Favored 'General case' 0 CA--C 1.496 -1.105 0 C-N-CA 125.3 1.44 . . . . 100.0 111.099 -177.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -70.05 152.21 44.64 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 109.166 -0.679 . . . . 100.0 109.166 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.55 -8.67 66.47 Favored Glycine 0 C--N 1.351 1.368 0 CA-C-O 118.554 -1.136 . . . . 100.0 112.802 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -86.98 142.72 27.75 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 118.777 1.289 . . . . 100.0 108.849 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -61.39 -48.94 78.95 Favored 'General case' 0 N--CA 1.44 -0.965 0 N-CA-C 113.693 0.997 . . . . 100.0 113.693 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 68' ' ' PHE . 63.4 tp -134.08 128.86 35.07 Favored 'General case' 0 CA--C 1.49 -1.336 0 C-N-CA 118.484 -1.286 . . . . 100.0 109.346 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.445 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 94.8 mt -63.17 -40.83 98.68 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 126.296 1.839 . . . . 100.0 111.009 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.42 -22.56 66.96 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 126.08 1.752 . . . . 100.0 114.24 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.463 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 87.4 t80 -58.89 132.21 53.3 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 107.939 -1.134 . . . . 100.0 107.939 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -93.07 124.05 36.77 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-O 122.388 1.09 . . . . 100.0 111.997 -175.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -153.77 -168.02 2.85 Favored 'General case' 0 N--CA 1.437 -1.082 0 C-N-CA 126.17 1.788 . . . . 100.0 107.259 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -60.27 -39.87 88.34 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 124.551 1.141 . . . . 100.0 111.28 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.717 ' HE1' ' HD3' ' A' ' 32' ' ' ARG 0.266 5.6 t90 -55.41 140.06 41.22 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 128.145 2.578 . . . . 100.0 109.37 176.381 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.41 ' HH ' ' HB2' ' A' ' 15' ' ' ALA . 92.5 m-85 -82.0 121.27 78.91 Favored Pre-proline 0 C--N 1.361 1.082 0 N-CA-C 108.139 -1.06 . . . . 100.0 108.139 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -58.88 -36.87 96.23 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 124.36 3.373 . . . . 100.0 113.708 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.49 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 86.5 tt0 -76.08 128.8 35.74 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 106.201 -1.778 . . . . 100.0 106.201 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -101.82 128.54 48.14 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-O 122.049 0.928 . . . . 100.0 109.149 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.73 -47.33 85.74 Favored 'General case' 0 N--CA 1.437 -1.082 0 C-N-CA 125.423 1.489 . . . . 100.0 113.82 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.74 -41.47 87.77 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 113.602 0.964 . . . . 100.0 113.602 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 42.9 p -85.97 83.77 7.7 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 122.183 0.992 . . . . 100.0 110.048 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -90.97 106.91 18.85 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 107.55 -1.278 . . . . 100.0 107.55 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.85 -14.09 59.44 Favored Glycine 0 N--CA 1.432 -1.582 0 CA-C-N 113.747 -1.569 . . . . 100.0 113.237 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.514 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 83.2 mt-10 -70.16 -41.9 73.22 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 118.487 1.143 . . . . 100.0 111.689 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.25 -45.06 93.33 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.593 1.157 . . . . 100.0 110.131 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.6 t0 53.54 42.27 31.95 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 127.156 2.183 . . . . 100.0 111.971 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.2 t -102.33 -46.6 11.04 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 105.426 -2.064 . . . . 100.0 105.426 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.49 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.378 35.6 m-85 -65.41 -38.12 88.98 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 117.029 2.233 . . . . 100.0 117.029 -179.245 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -61.85 -49.06 87.53 Favored Pre-proline 0 C--N 1.357 0.927 0 CA-C-O 116.892 -1.528 . . . . 100.0 111.895 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.76 -24.08 18.54 Favored 'Trans proline' 0 C--N 1.38 2.223 0 CA-C-N 122.421 1.9 . . . . 100.0 112.156 177.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t70 53.38 45.91 27.39 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 127.534 2.333 . . . . 100.0 112.301 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.4 mt -110.37 123.95 50.8 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 105.53 -2.026 . . . . 100.0 105.53 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -115.18 119.7 37.27 Favored 'General case' 0 N--CA 1.434 -1.252 0 N-CA-C 102.97 -2.974 . . . . 100.0 102.97 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 59.3 mtm -114.97 118.34 33.18 Favored 'General case' 0 CA--C 1.492 -1.282 0 N-CA-C 107.778 -1.193 . . . . 100.0 107.778 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.452 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 66.6 mt-10 -63.53 -42.82 98.43 Favored 'General case' 0 CA--C 1.495 -1.141 0 CA-C-N 113.997 -1.456 . . . . 100.0 112.979 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.75 -43.79 97.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 C-N-CA 124.514 1.126 . . . . 100.0 110.12 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.07 -47.74 91.76 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 CA-C-O 118.404 -0.808 . . . . 100.0 110.741 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.463 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.429 9.5 p90 -68.66 -38.57 80.52 Favored 'General case' 0 C--N 1.362 1.152 0 N-CA-C 115.081 1.511 . . . . 100.0 115.081 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -81.92 76.68 8.81 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 122.717 1.246 . . . . 100.0 110.896 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.1 m -66.37 -39.85 89.38 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 126.363 1.865 . . . . 100.0 108.077 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.824 ' H ' HE21 ' A' ' 71' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.666 0 C-N-CA 125.429 1.491 . . . . 100.0 107.916 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.335 0 N-CA-C 110.015 -1.234 . . . . 100.0 110.015 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.04 152.62 47.73 Favored 'General case' 0 CA--C 1.495 -1.166 0 CA-C-N 113.419 -1.391 . . . . 100.0 108.555 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.9 m -84.44 83.23 8.07 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 105.914 -1.884 . . . . 100.0 105.914 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.65 141.68 46.14 Favored 'General case' 0 N--CA 1.427 -1.596 0 N-CA-C 104.184 -2.524 . . . . 100.0 104.184 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.59 36.62 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.327 -0.851 . . . . 100.0 110.786 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.04 28.69 18.03 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 113.071 -1.877 . . . . 100.0 112.79 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.1 p 51.69 43.44 29.91 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.831 2.053 . . . . 100.0 113.02 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.9 m -73.32 138.6 45.51 Favored 'General case' 0 C--N 1.357 0.929 0 N-CA-C 107.834 -1.173 . . . . 100.0 107.834 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.0 130.26 36.28 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 106.967 -1.494 . . . . 100.0 106.967 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -62.63 -42.03 99.36 Favored 'General case' 0 CA--C 1.495 -1.17 0 N-CA-C 117.581 2.438 . . . . 100.0 117.581 -177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.405 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.24 157.21 38.52 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 122.406 1.098 . . . . 100.0 113.388 -177.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.73 87.24 6.33 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 113.931 -1.486 . . . . 100.0 109.279 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.431 HD11 ' HB2' ' A' ' 20' ' ' PHE . 2.2 pp -84.04 -11.05 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 N-CA-C 119.514 3.153 . . . . 100.0 119.514 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.05 147.35 52.34 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 119.824 1.193 . . . . 100.0 109.195 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.08 92.42 Favored 'General case' 0 CA--C 1.497 -1.094 0 C-N-CA 125.285 1.434 . . . . 100.0 113.142 -176.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -62.98 -42.37 99.82 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-O 117.235 -1.364 . . . . 100.0 112.887 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.8 p 164.06 -47.95 0.0 OUTLIER 'General case' 0 C--N 1.376 1.76 0 O-C-N 124.74 1.275 . . . . 100.0 113.211 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.515 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.74 -179.12 7.1 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 116.309 1.966 . . . . 100.0 116.309 -176.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 20' ' ' PHE . 83.1 m -72.41 164.83 25.7 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 119.778 -1.826 . . . . 100.0 109.296 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.431 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.4 t80 -60.06 -42.65 94.99 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.767 2.027 . . . . 100.0 108.047 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.24 -38.93 92.79 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.961 1.705 . . . . 100.0 110.377 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -90.98 12.14 20.63 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 126.554 1.942 . . . . 100.0 112.275 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.86 -41.51 89.03 Favored Pre-proline 0 N--CA 1.441 -0.911 0 CA-C-O 115.411 -2.233 . . . . 100.0 113.325 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.2 -33.82 98.2 Favored 'Trans proline' 0 C--N 1.38 2.192 0 CA-C-N 124.073 2.49 . . . . 100.0 112.437 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.05 -23.55 64.98 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.129 0.972 . . . . 100.0 112.563 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.515 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.4 m -61.07 -35.93 78.28 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 125.055 1.342 . . . . 100.0 110.37 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.4 m -60.81 -38.29 84.87 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 125.04 1.336 . . . . 100.0 110.581 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.56 139.06 56.91 Favored 'General case' 0 C--N 1.36 1.041 0 N-CA-C 106.755 -1.572 . . . . 100.0 106.755 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.46 11.25 31.39 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 114.6 1.333 . . . . 100.0 114.6 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -61.63 -39.25 90.63 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 123.267 0.627 . . . . 100.0 112.395 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -62.13 -42.36 99.17 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 123.638 0.775 . . . . 100.0 110.742 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -62.62 -39.62 94.38 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 124.157 0.983 . . . . 100.0 111.464 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -69.49 151.96 45.42 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.756 -0.831 . . . . 100.0 108.756 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.95 2.34 64.66 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-O 119.274 -0.736 . . . . 100.0 112.243 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -98.65 138.36 35.94 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 107.588 -1.264 . . . . 100.0 107.588 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.38 -47.5 85.81 Favored 'General case' 0 N--CA 1.435 -1.198 0 C-N-CA 124.982 1.313 . . . . 100.0 113.01 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -129.97 125.43 35.39 Favored 'General case' 0 CA--C 1.492 -1.252 0 CA-C-N 118.839 0.745 . . . . 100.0 110.514 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.1 -39.82 90.28 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 125.449 1.5 . . . . 100.0 110.163 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.73 -23.41 67.35 Favored 'General case' 0 CA--C 1.498 -1.044 0 C-N-CA 126.461 1.904 . . . . 100.0 114.278 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 73.4 t80 -62.44 134.46 56.45 Favored 'General case' 0 C--N 1.36 1.054 0 CA-C-O 121.774 0.797 . . . . 100.0 109.949 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -81.26 119.67 23.93 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 122.754 1.264 . . . . 100.0 110.966 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -144.96 179.88 7.06 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 128.328 2.651 . . . . 100.0 106.287 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -61.39 -42.33 98.55 Favored 'General case' 0 C--N 1.357 0.891 0 C-N-CA 123.965 0.906 . . . . 100.0 110.338 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -65.06 147.24 53.84 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.623 0.769 . . . . 100.0 111.545 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -74.01 125.02 90.54 Favored Pre-proline 0 C--N 1.355 0.806 0 CA-C-N 116.03 -0.532 . . . . 100.0 111.028 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -58.37 -37.11 96.47 Favored 'Trans proline' 0 C--N 1.372 1.786 0 C-N-CA 124.383 3.388 . . . . 100.0 114.801 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.477 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.7 tt0 -78.41 128.13 33.19 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 105.716 -1.957 . . . . 100.0 105.716 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.402 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 55.3 mt-10 -100.94 131.66 46.72 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-O 121.742 0.782 . . . . 100.0 110.321 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.79 -47.08 86.76 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 124.979 1.311 . . . . 100.0 113.66 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.21 -41.79 94.13 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 113.389 0.885 . . . . 100.0 113.389 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.504 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 60.7 p -84.95 82.39 8.47 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-O 121.814 0.816 . . . . 100.0 111.005 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -92.02 106.23 18.3 Favored 'General case' 0 N--CA 1.435 -1.18 0 N-CA-C 106.735 -1.58 . . . . 100.0 106.735 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.05 -13.64 60.9 Favored Glycine 0 N--CA 1.433 -1.513 0 CA-C-N 113.709 -1.587 . . . . 100.0 113.81 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.504 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 75.4 mt-10 -70.33 -41.05 73.76 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 118.4 1.1 . . . . 100.0 110.715 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -62.64 -45.78 91.27 Favored 'General case' 0 CA--C 1.493 -1.214 0 C-N-CA 124.735 1.214 . . . . 100.0 109.845 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.6 t0 53.66 42.43 31.85 Favored 'General case' 0 C--N 1.361 1.106 0 C-N-CA 126.334 1.854 . . . . 100.0 110.521 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.1 t -103.77 -51.5 8.63 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.879 0 N-CA-C 106.535 -1.654 . . . . 100.0 106.535 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.326 25.7 m-85 -64.76 -39.49 93.71 Favored 'General case' 0 CA--C 1.487 -1.45 0 N-CA-C 116.78 2.141 . . . . 100.0 116.78 -178.818 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -61.72 -48.61 89.26 Favored Pre-proline 0 C--N 1.357 0.932 0 CA-C-O 116.911 -1.519 . . . . 100.0 113.393 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -76.46 -18.27 15.82 Favored 'Trans proline' 0 C--N 1.377 2.072 0 CA-C-N 122.357 1.877 . . . . 100.0 113.28 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 53.76 44.22 29.92 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 126.302 1.841 . . . . 100.0 112.435 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 tp -110.65 120.93 44.03 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 106.132 -1.803 . . . . 100.0 106.132 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -119.66 125.05 47.76 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 105.366 -2.087 . . . . 100.0 105.366 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 61.1 mtm -116.35 114.63 24.57 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 106.625 -1.62 . . . . 100.0 106.625 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.481 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 77.4 mt-10 -64.66 -40.08 94.81 Favored 'General case' 0 CA--C 1.488 -1.439 0 CA-C-N 114.815 -1.084 . . . . 100.0 113.648 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.31 -43.77 97.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 C-N-CA 124.086 0.954 . . . . 100.0 109.723 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.07 -48.93 86.21 Favored 'Isoleucine or valine' 0 C--N 1.36 1.05 0 CA-C-O 117.918 -1.039 . . . . 100.0 111.005 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.481 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.382 18.1 p90 -69.22 -39.02 78.82 Favored 'General case' 0 C--N 1.361 1.085 0 N-CA-C 115.028 1.492 . . . . 100.0 115.028 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 . . . . . 0 CA--C 1.495 -1.151 0 CA-C-O 123.185 1.469 . . . . 100.0 114.005 -178.329 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.422 0 N-CA-C 110.033 -1.227 . . . . 100.0 110.033 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -128.02 152.63 47.7 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 113.449 -1.375 . . . . 100.0 108.562 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.6 m -84.39 83.23 8.06 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 106.005 -1.85 . . . . 100.0 106.005 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.67 141.65 46.21 Favored 'General case' 0 N--CA 1.427 -1.618 0 N-CA-C 104.187 -2.523 . . . . 100.0 104.187 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.7 128.52 36.34 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 115.334 -0.848 . . . . 100.0 110.79 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.05 28.7 18.05 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 113.096 -1.865 . . . . 100.0 112.811 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.1 p 51.65 43.4 29.87 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.831 2.052 . . . . 100.0 113.049 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.25 138.61 45.64 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 107.786 -1.19 . . . . 100.0 107.786 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.2 36.18 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 106.964 -1.495 . . . . 100.0 106.964 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.61 -41.95 99.29 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 117.614 2.45 . . . . 100.0 117.614 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.418 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.34 157.21 38.48 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-O 122.367 1.08 . . . . 100.0 113.414 -177.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -81.76 87.33 6.34 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 113.98 -1.463 . . . . 100.0 109.173 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.424 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.08 -11.01 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 119.547 3.165 . . . . 100.0 119.547 -178.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.08 147.33 52.44 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 119.826 1.194 . . . . 100.0 109.216 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.03 92.1 Favored 'General case' 0 CA--C 1.497 -1.094 0 C-N-CA 125.286 1.434 . . . . 100.0 113.185 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.6 m80 -63.13 -42.23 99.45 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-O 117.246 -1.359 . . . . 100.0 112.885 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.4 p 164.06 -48.04 0.0 OUTLIER 'General case' 0 C--N 1.377 1.767 0 O-C-N 124.68 1.237 . . . . 100.0 113.191 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.522 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.65 -179.17 7.09 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 116.3 1.963 . . . . 100.0 116.3 -176.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 20' ' ' PHE . 84.0 m -72.42 164.84 25.7 Favored 'General case' 0 C--N 1.36 1.045 0 O-C-N 119.813 -1.804 . . . . 100.0 109.273 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.11 -42.62 95.13 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 126.814 2.046 . . . . 100.0 108.042 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' H ' HG22 ' A' ' 19' ' ' THR . 87.0 tt0 -64.23 -38.9 92.7 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 125.891 1.676 . . . . 100.0 110.42 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -91.05 12.2 20.59 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 126.492 1.917 . . . . 100.0 112.268 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.57 89.37 Favored Pre-proline 0 N--CA 1.44 -0.935 0 CA-C-O 115.447 -2.216 . . . . 100.0 113.344 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.21 -33.77 98.17 Favored 'Trans proline' 0 C--N 1.379 2.181 0 CA-C-N 124.039 2.478 . . . . 100.0 112.451 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.05 -23.62 64.99 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 124.147 0.979 . . . . 100.0 112.547 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 92.9 m -61.0 -35.93 78.15 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 125.059 1.344 . . . . 100.0 110.403 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.78 -38.39 85.16 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.047 1.339 . . . . 100.0 110.554 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.44 139.08 57.07 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 106.746 -1.576 . . . . 100.0 106.746 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.5 17.08 13.77 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 114.617 1.34 . . . . 100.0 114.617 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.9 -44.92 93.98 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 125.058 1.343 . . . . 100.0 111.271 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -63.49 -40.59 97.5 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 123.665 0.786 . . . . 100.0 112.812 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -65.01 -40.16 94.49 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 124.113 0.965 . . . . 100.0 111.308 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -67.97 151.26 47.38 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.085 0.954 . . . . 100.0 110.671 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.36 -1.65 69.92 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-O 119.005 -0.886 . . . . 100.0 112.339 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -95.47 142.19 28.13 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 118.084 0.942 . . . . 100.0 110.079 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -60.01 -48.01 83.48 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 125.202 1.401 . . . . 100.0 113.895 -176.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.7 mt -129.58 124.15 33.09 Favored 'General case' 0 CA--C 1.489 -1.368 0 CA-C-N 119.122 0.874 . . . . 100.0 111.317 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.78 -39.05 84.13 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 124.625 1.17 . . . . 100.0 110.432 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.82 -24.4 67.74 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 125.974 1.709 . . . . 100.0 113.297 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.414 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 63.1 t80 -61.4 134.65 57.15 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 123.891 0.876 . . . . 100.0 110.493 -178.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -78.48 123.56 27.18 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-O 123.126 1.441 . . . . 100.0 112.184 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -146.64 176.63 9.69 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 129.35 3.06 . . . . 100.0 106.941 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -61.39 -40.7 95.3 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.791 0.836 . . . . 100.0 110.536 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.6 p90 -69.46 156.81 38.26 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.369 0.604 . . . . 100.0 112.227 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -75.09 124.49 89.42 Favored Pre-proline 0 N--CA 1.439 -1.005 0 CA-C-N 114.697 -1.138 . . . . 100.0 110.158 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.33 -34.8 93.2 Favored 'Trans proline' 0 C--N 1.371 1.727 0 C-N-CA 124.568 3.512 . . . . 100.0 112.709 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.477 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.6 tt0 -76.77 128.45 34.66 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 106.022 -1.844 . . . . 100.0 106.022 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.457 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 61.7 mt-10 -100.01 129.5 46.07 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-O 121.891 0.853 . . . . 100.0 109.977 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.4 mt -62.85 -45.94 90.22 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 125.187 1.395 . . . . 100.0 112.871 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.35 -42.74 96.07 Favored 'General case' 0 CA--C 1.496 -1.101 0 C-N-CA 123.965 0.906 . . . . 100.0 113.256 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.616 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 24.2 p -86.63 84.94 7.29 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-O 121.909 0.861 . . . . 100.0 110.189 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -91.83 105.95 18.1 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 105.973 -1.862 . . . . 100.0 105.973 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.73 -12.62 62.99 Favored Glycine 0 N--CA 1.435 -1.388 0 CA-C-N 113.859 -1.519 . . . . 100.0 113.902 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.616 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 38.6 mt-10 -70.23 -42.43 72.28 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 118.552 1.176 . . . . 100.0 111.174 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.28 -44.85 93.91 Favored 'General case' 0 CA--C 1.497 -1.066 0 C-N-CA 124.388 1.075 . . . . 100.0 110.023 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.4 t0 54.04 41.07 32.17 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 127.249 2.22 . . . . 100.0 111.275 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.5 t -101.83 -47.61 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 N-CA-C 105.37 -2.085 . . . . 100.0 105.37 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.369 26.1 m-85 -64.39 -38.32 90.63 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 116.771 2.138 . . . . 100.0 116.771 -178.759 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.461 ' HB2' ' HD3' ' A' ' 60' ' ' PRO . 64.5 m-20 -61.91 -48.34 89.18 Favored Pre-proline 0 C--N 1.359 1.016 0 CA-C-O 116.906 -1.521 . . . . 100.0 110.895 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.461 ' HD3' ' HB2' ' A' ' 59' ' ' ASP . 33.6 Cg_exo -70.3 -26.19 25.3 Favored 'Trans proline' 0 C--N 1.383 2.346 0 C-N-CA 122.259 1.972 . . . . 100.0 112.023 177.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.7 t70 55.73 42.42 29.27 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 127.367 2.267 . . . . 100.0 111.709 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.4 mt -115.14 128.07 55.97 Favored 'General case' 0 CA--C 1.491 -1.317 0 N-CA-C 107.095 -1.446 . . . . 100.0 107.095 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -109.74 121.85 46.16 Favored 'General case' 0 CA--C 1.492 -1.265 0 N-CA-C 104.608 -2.367 . . . . 100.0 104.608 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 89.7 mtp -109.28 109.45 20.37 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 105.761 -1.94 . . . . 100.0 105.761 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.504 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 51.5 mt-10 -64.09 -40.93 97.3 Favored 'General case' 0 CA--C 1.491 -1.291 0 CA-C-N 114.34 -1.3 . . . . 100.0 113.494 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.42 -44.26 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 C-N-CA 124.577 1.151 . . . . 100.0 109.968 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.7 t -62.4 -49.39 84.12 Favored 'Isoleucine or valine' 0 C--N 1.361 1.086 0 CA-C-O 118.13 -0.938 . . . . 100.0 110.88 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.444 26.5 p90 -68.74 -38.52 80.22 Favored 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 116.545 2.054 . . . . 100.0 116.545 -179.404 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 . . . . . 0 N--CA 1.437 -1.093 0 CA-C-O 122.528 1.156 . . . . 100.0 111.648 -178.302 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.388 0 N-CA-C 110.052 -1.219 . . . . 100.0 110.052 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.05 152.63 47.72 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 113.419 -1.39 . . . . 100.0 108.554 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.9 m -84.4 83.21 8.07 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 106.004 -1.85 . . . . 100.0 106.004 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.66 141.72 46.11 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 104.123 -2.547 . . . . 100.0 104.123 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.86 128.55 36.41 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 115.267 -0.879 . . . . 100.0 110.701 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.05 28.76 18.13 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 113.001 -1.909 . . . . 100.0 112.78 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.5 p 51.63 43.4 29.85 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 126.84 2.056 . . . . 100.0 113.063 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -73.25 138.59 45.64 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 107.851 -1.166 . . . . 100.0 107.851 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.23 36.23 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 106.976 -1.49 . . . . 100.0 106.976 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.62 -42.0 99.33 Favored 'General case' 0 N--CA 1.437 -1.117 0 N-CA-C 117.594 2.442 . . . . 100.0 117.594 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.419 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.28 157.24 38.45 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-O 122.408 1.099 . . . . 100.0 113.431 -177.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -81.72 87.24 6.33 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 113.972 -1.467 . . . . 100.0 109.243 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.419 HG23 ' HG2' ' A' ' 11' ' ' GLN . 2.2 pp -84.02 -10.99 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 N-CA-C 119.541 3.163 . . . . 100.0 119.541 -178.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.17 147.34 52.52 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 119.824 1.193 . . . . 100.0 109.199 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.74 -42.09 92.39 Favored 'General case' 0 CA--C 1.497 -1.089 0 C-N-CA 125.279 1.432 . . . . 100.0 113.13 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.5 m80 -63.01 -42.27 99.79 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 117.258 -1.353 . . . . 100.0 112.914 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.02 -47.98 0.0 OUTLIER 'General case' 0 C--N 1.376 1.759 0 O-C-N 124.655 1.222 . . . . 100.0 113.227 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.523 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.71 -179.11 7.09 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 116.347 1.98 . . . . 100.0 116.347 -176.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 20' ' ' PHE . 86.0 m -72.51 164.87 25.72 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 119.833 -1.792 . . . . 100.0 109.282 -178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.423 ' N ' HG22 ' A' ' 19' ' ' THR . 84.5 t80 -60.1 -42.66 95.15 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 126.776 2.03 . . . . 100.0 108.028 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' H ' HG22 ' A' ' 19' ' ' THR . 87.0 tt0 -64.15 -38.96 92.95 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 125.936 1.695 . . . . 100.0 110.428 178.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -90.97 12.08 20.79 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 126.559 1.944 . . . . 100.0 112.283 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.51 89.04 Favored Pre-proline 0 N--CA 1.44 -0.939 0 CA-C-O 115.408 -2.234 . . . . 100.0 113.331 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.21 -33.77 98.16 Favored 'Trans proline' 0 C--N 1.38 2.186 0 CA-C-N 124.071 2.49 . . . . 100.0 112.452 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.06 -23.59 64.98 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 124.137 0.975 . . . . 100.0 112.552 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.2 m -61.06 -35.91 78.2 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 125.069 1.348 . . . . 100.0 110.398 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.4 m -60.76 -38.4 85.12 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 125.068 1.347 . . . . 100.0 110.607 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.43 139.05 57.08 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 106.779 -1.563 . . . . 100.0 106.779 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.5 15.13 18.66 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 114.566 1.321 . . . . 100.0 114.566 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -59.52 -44.29 93.19 Favored 'General case' 0 CA--C 1.5 -0.97 0 C-N-CA 123.052 0.541 . . . . 100.0 111.891 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -64.25 -41.08 97.12 Favored 'General case' 0 N--CA 1.433 -1.287 0 C-N-CA 123.891 0.876 . . . . 100.0 112.169 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -64.07 -40.67 96.76 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.925 0.89 . . . . 100.0 112.207 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -68.29 150.82 47.78 Favored 'General case' 0 CA--C 1.5 -0.943 0 C-N-CA 124.441 1.096 . . . . 100.0 111.156 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.47 4.21 70.91 Favored Glycine 0 C--N 1.354 1.541 0 CA-C-O 118.907 -0.94 . . . . 100.0 113.468 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -98.25 151.26 20.65 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-N 118.577 1.189 . . . . 100.0 110.56 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -59.0 -50.17 75.12 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 115.687 1.736 . . . . 100.0 115.687 -175.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 68' ' ' PHE . 65.6 tp -140.48 127.96 21.4 Favored 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 118.047 -1.461 . . . . 100.0 108.602 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.23 -39.43 92.73 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 125.116 1.366 . . . . 100.0 111.693 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.96 -23.75 67.56 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.579 1.552 . . . . 100.0 113.145 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.497 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 85.9 t80 -60.99 132.13 52.87 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-O 121.536 0.684 . . . . 100.0 109.814 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -83.27 121.21 26.82 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 114.702 -1.136 . . . . 100.0 110.843 -176.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . 0.31 14.9 pt-20 -152.86 -166.97 2.6 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 126.049 1.739 . . . . 100.0 109.114 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -58.8 -46.21 88.11 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 114.096 1.147 . . . . 100.0 114.096 -176.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -73.45 159.51 33.12 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 112.404 0.52 . . . . 100.0 112.404 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -78.37 127.32 81.28 Favored Pre-proline 0 N--CA 1.438 -1.044 0 CA-C-N 115.581 -0.736 . . . . 100.0 109.401 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -59.46 -34.17 97.24 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 124.336 3.357 . . . . 100.0 113.775 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 88.7 tt0 -74.46 128.09 34.69 Favored 'General case' 0 CA--C 1.497 -1.06 0 N-CA-C 107.022 -1.473 . . . . 100.0 107.022 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -102.53 130.78 49.47 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 122.061 0.934 . . . . 100.0 109.571 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.48 -45.78 91.47 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 113.989 -1.459 . . . . 100.0 112.201 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.34 -42.34 96.3 Favored 'General case' 0 CA--C 1.499 -1.003 0 C-N-CA 123.816 0.846 . . . . 100.0 113.193 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.586 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 69.9 p -85.45 86.48 7.37 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-O 121.97 0.891 . . . . 100.0 110.501 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -91.49 105.25 17.62 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 106.849 -1.537 . . . . 100.0 106.849 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.65 -10.94 63.05 Favored Glycine 0 N--CA 1.434 -1.498 0 CA-C-N 113.745 -1.57 . . . . 100.0 113.586 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.586 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 20.5 mm-40 -68.48 -43.32 77.21 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 118.651 1.225 . . . . 100.0 110.375 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -63.99 -46.14 85.92 Favored 'General case' 0 CA--C 1.499 -1.016 0 C-N-CA 124.01 0.924 . . . . 100.0 110.385 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.2 t70 52.92 41.85 32.03 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 127.246 2.218 . . . . 100.0 110.861 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.1 t -103.85 -48.01 10.17 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 N-CA-C 105.843 -1.91 . . . . 100.0 105.843 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.437 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.374 42.7 m-85 -65.02 -38.01 89.52 Favored 'General case' 0 CA--C 1.489 -1.374 0 N-CA-C 116.928 2.195 . . . . 100.0 116.928 -178.768 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -61.32 -48.68 90.6 Favored Pre-proline 0 C--N 1.358 0.977 0 CA-C-O 116.888 -1.529 . . . . 100.0 111.473 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -77.45 -18.31 13.96 Favored 'Trans proline' 0 C--N 1.378 2.082 0 CA-C-N 122.451 1.911 . . . . 100.0 113.376 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.7 t70 53.35 45.58 28.13 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 126.732 2.013 . . . . 100.0 112.302 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.5 tp -112.95 124.95 53.79 Favored 'General case' 0 N--CA 1.432 -1.328 0 N-CA-C 105.755 -1.943 . . . . 100.0 105.755 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -113.16 124.1 51.76 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 104.263 -2.495 . . . . 100.0 104.263 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.6 mtm -114.92 115.36 26.79 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 106.417 -1.698 . . . . 100.0 106.417 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.478 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 51.0 mt-10 -64.04 -42.38 97.09 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-N 113.966 -1.47 . . . . 100.0 112.314 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.3 t -61.66 -43.88 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.825 0 C-N-CA 125.094 1.357 . . . . 100.0 110.432 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.58 -48.23 89.2 Favored 'Isoleucine or valine' 0 C--N 1.36 1.049 0 CA-C-O 118.593 -0.718 . . . . 100.0 111.069 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.497 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.444 21.5 p90 -69.72 -39.26 76.96 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 116.003 1.853 . . . . 100.0 116.003 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 . . . . . 0 N--CA 1.44 -0.941 0 CA-C-O 122.312 1.053 . . . . 100.0 110.939 -179.058 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.38 0 N-CA-C 110.009 -1.237 . . . . 100.0 110.009 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.04 152.62 47.73 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 113.46 -1.37 . . . . 100.0 108.558 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.5 m -84.38 83.22 8.07 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 105.994 -1.854 . . . . 100.0 105.994 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.68 141.69 46.16 Favored 'General case' 0 N--CA 1.427 -1.621 0 N-CA-C 104.133 -2.543 . . . . 100.0 104.133 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.55 36.42 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.281 -0.872 . . . . 100.0 110.73 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.14 28.66 18.02 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 113.038 -1.892 . . . . 100.0 112.731 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.8 p 51.73 43.37 30.01 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 126.8 2.04 . . . . 100.0 113.056 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -73.21 138.58 45.7 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 107.83 -1.174 . . . . 100.0 107.83 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -77.98 130.18 36.2 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 107.009 -1.478 . . . . 100.0 107.009 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.63 -42.05 99.37 Favored 'General case' 0 CA--C 1.494 -1.177 0 N-CA-C 117.586 2.439 . . . . 100.0 117.586 -177.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.41 ' HG2' HG23 ' A' ' 13' ' ' ILE 0.25 15.5 pm0 -71.19 157.23 38.51 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 122.382 1.087 . . . . 100.0 113.435 -177.768 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -81.79 87.32 6.35 Favored 'General case' 0 N--CA 1.431 -1.403 0 CA-C-N 113.935 -1.484 . . . . 100.0 109.177 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.06 -11.01 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 N-CA-C 119.548 3.166 . . . . 100.0 119.548 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.6 t -64.14 147.36 52.43 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 119.768 1.167 . . . . 100.0 109.178 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.12 92.28 Favored 'General case' 0 CA--C 1.497 -1.079 0 C-N-CA 125.324 1.45 . . . . 100.0 113.119 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.482 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.8 m80 -62.99 -42.31 99.81 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-O 117.253 -1.356 . . . . 100.0 112.918 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 p 164.05 -47.99 0.0 OUTLIER 'General case' 0 C--N 1.377 1.785 0 O-C-N 124.765 1.291 . . . . 100.0 113.215 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.517 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.68 -179.13 7.09 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 116.35 1.981 . . . . 100.0 116.35 -176.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 20' ' ' PHE . 84.8 m -72.48 164.87 25.69 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 119.841 -1.787 . . . . 100.0 109.258 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.42 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.12 -42.69 95.29 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 126.81 2.044 . . . . 100.0 107.994 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.17 -38.91 92.74 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.955 1.702 . . . . 100.0 110.431 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -91.01 12.12 20.77 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 126.562 1.945 . . . . 100.0 112.276 -178.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.86 -41.58 89.41 Favored Pre-proline 0 N--CA 1.441 -0.89 0 CA-C-O 115.392 -2.242 . . . . 100.0 113.283 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.15 -33.78 98.36 Favored 'Trans proline' 0 C--N 1.379 2.174 0 CA-C-N 124.094 2.498 . . . . 100.0 112.442 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.15 -23.51 64.88 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.101 0.96 . . . . 100.0 112.512 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.0 m -61.05 -35.87 78.08 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 125.028 1.331 . . . . 100.0 110.459 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.81 -38.34 85.07 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.028 1.331 . . . . 100.0 110.557 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.5 139.05 56.99 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 106.758 -1.571 . . . . 100.0 106.758 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.402 HD21 ' H ' ' A' ' 49' ' ' LEU . 8.1 mp -94.43 15.13 18.5 Favored 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 114.601 1.334 . . . . 100.0 114.601 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.43 -43.22 96.99 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 125.897 1.679 . . . . 100.0 110.74 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -63.84 -38.77 92.34 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 125.919 1.688 . . . . 100.0 110.131 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.844 ' HA ' ' HE1' ' A' ' 44' ' ' TRP . 70.6 mtt180 -61.82 -41.48 97.84 Favored 'General case' 0 CA--C 1.494 -1.2 0 C-N-CA 124.166 0.987 . . . . 100.0 111.803 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -65.93 147.57 53.16 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.39 -0.967 . . . . 100.0 108.39 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.1 -6.92 64.19 Favored Glycine 0 C--N 1.348 1.237 0 CA-C-O 118.538 -1.146 . . . . 100.0 113.23 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -88.24 138.06 31.78 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 118.802 1.301 . . . . 100.0 108.774 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -61.02 -48.62 80.94 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 124.615 1.166 . . . . 100.0 113.502 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -129.83 125.36 35.51 Favored 'General case' 0 CA--C 1.481 -1.694 0 CA-C-N 118.576 0.625 . . . . 100.0 110.466 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.6 mt -66.6 -39.38 88.34 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 124.435 1.094 . . . . 100.0 109.546 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.77 -23.11 67.05 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 126.507 1.923 . . . . 100.0 114.35 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.401 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 87.2 t80 -61.06 129.42 41.27 Favored 'General case' 0 C--N 1.366 1.304 0 N-CA-C 108.337 -0.986 . . . . 100.0 108.337 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -86.13 126.03 33.92 Favored 'General case' 0 CA--C 1.488 -1.415 0 N-CA-C 114.611 1.337 . . . . 100.0 114.611 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.582 ' HG3' ' HB3' ' A' ' 44' ' ' TRP . 10.9 pt-20 -157.75 -172.92 4.14 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 126.337 1.855 . . . . 100.0 108.568 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.84 -40.48 92.98 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 124.247 1.019 . . . . 100.0 111.657 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.844 ' HE1' ' HA ' ' A' ' 32' ' ' ARG 0.34 74.5 t90 -57.58 137.52 56.26 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 130.46 3.504 . . . . 100.0 106.303 178.519 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -79.56 121.06 82.19 Favored Pre-proline 0 C--N 1.359 0.988 0 N-CA-C 112.213 0.449 . . . . 100.0 112.213 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -60.03 -37.01 87.59 Favored 'Trans proline' 0 C--N 1.372 1.804 0 C-N-CA 124.663 3.575 . . . . 100.0 114.843 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -78.51 128.4 33.51 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 106.522 -1.658 . . . . 100.0 106.522 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.401 ' HA ' HH11 ' A' ' 32' ' ' ARG . 57.0 mt-10 -100.2 131.15 46.31 Favored 'General case' 0 N--CA 1.432 -1.344 0 O-C-N 124.275 0.984 . . . . 100.0 110.22 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.402 ' H ' HD21 ' A' ' 29' ' ' LEU . 73.3 mt -62.86 -44.87 94.98 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 125.098 1.359 . . . . 100.0 112.417 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.38 -44.11 95.68 Favored 'General case' 0 CA--C 1.501 -0.938 0 C-N-CA 124.108 0.963 . . . . 100.0 112.99 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.582 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 26.4 p -87.21 83.21 7.44 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 121.967 0.889 . . . . 100.0 109.102 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -88.74 102.99 15.55 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 108.094 -1.076 . . . . 100.0 108.094 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.08 -11.06 63.72 Favored Glycine 0 N--CA 1.436 -1.36 0 CA-C-N 114.53 -1.213 . . . . 100.0 113.253 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.582 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 63.0 mm-40 -69.83 -41.49 74.89 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 118.47 1.135 . . . . 100.0 110.597 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -62.39 -46.86 86.69 Favored 'General case' 0 CA--C 1.498 -1.036 0 C-N-CA 124.494 1.118 . . . . 100.0 109.413 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.6 t0 52.5 40.24 29.37 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 127.945 2.498 . . . . 100.0 110.743 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -103.88 -47.75 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.908 0 N-CA-C 105.82 -1.918 . . . . 100.0 105.82 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.352 45.6 m-85 -64.45 -38.7 91.93 Favored 'General case' 0 CA--C 1.487 -1.473 0 N-CA-C 116.849 2.166 . . . . 100.0 116.849 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.453 ' HB2' ' HD3' ' A' ' 60' ' ' PRO . 60.2 m-20 -62.0 -48.0 89.61 Favored Pre-proline 0 C--N 1.358 0.943 0 CA-C-O 117.219 -1.372 . . . . 100.0 110.795 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 59' ' ' ASP . 33.1 Cg_exo -71.01 -25.81 22.43 Favored 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 122.12 1.88 . . . . 100.0 113.173 177.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t70 54.66 43.44 30.17 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 127.163 2.185 . . . . 100.0 111.268 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.7 tp -111.87 127.26 55.78 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 106.091 -1.818 . . . . 100.0 106.091 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -110.53 129.2 55.85 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 107.275 -1.38 . . . . 100.0 107.275 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 94.2 mmm -111.62 105.01 13.43 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 103.314 -2.847 . . . . 100.0 103.314 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.471 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 51.3 mt-10 -63.12 -42.95 99.64 Favored 'General case' 0 CA--C 1.492 -1.276 0 N-CA-C 114.767 1.395 . . . . 100.0 114.767 -178.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.6 t -62.24 -42.95 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 C-N-CA 124.516 1.127 . . . . 100.0 109.684 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.1 t -62.26 -49.16 85.1 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 CA-C-O 118.042 -0.98 . . . . 100.0 110.858 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.379 10.2 p90 -69.15 -38.35 78.74 Favored 'General case' 0 C--N 1.362 1.111 0 N-CA-C 115.13 1.529 . . . . 100.0 115.13 -179.483 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 N--CA 1.435 -1.197 0 CA-C-O 122.998 1.38 . . . . 100.0 112.31 -178.077 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.339 0 N-CA-C 109.992 -1.243 . . . . 100.0 109.992 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.07 152.6 47.78 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 113.43 -1.385 . . . . 100.0 108.582 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 83.3 m -84.44 83.31 8.04 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 105.956 -1.868 . . . . 100.0 105.956 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.75 141.72 46.22 Favored 'General case' 0 N--CA 1.427 -1.619 0 N-CA-C 104.12 -2.548 . . . . 100.0 104.12 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.57 36.54 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 115.301 -0.863 . . . . 100.0 110.741 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.05 28.73 18.09 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 113.033 -1.894 . . . . 100.0 112.771 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.2 p 51.65 43.41 29.87 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 126.797 2.039 . . . . 100.0 113.063 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.27 138.6 45.6 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 107.808 -1.182 . . . . 100.0 107.808 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.01 130.14 36.13 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 106.971 -1.492 . . . . 100.0 106.971 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.58 -42.02 99.3 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 117.624 2.453 . . . . 100.0 117.624 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.412 ' HG2' HG23 ' A' ' 13' ' ' ILE 0.25 15.5 pm0 -71.15 157.21 38.55 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-O 122.378 1.085 . . . . 100.0 113.43 -177.807 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.75 87.19 6.34 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 113.974 -1.466 . . . . 100.0 109.255 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.06 -10.93 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 119.56 3.17 . . . . 100.0 119.56 -178.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.1 147.35 52.41 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-N 119.816 1.189 . . . . 100.0 109.198 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.06 92.16 Favored 'General case' 0 CA--C 1.497 -1.085 0 C-N-CA 125.261 1.424 . . . . 100.0 113.167 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.6 m80 -63.08 -42.23 99.59 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 117.254 -1.355 . . . . 100.0 112.93 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.05 -48.02 0.0 OUTLIER 'General case' 0 C--N 1.376 1.76 0 O-C-N 124.713 1.258 . . . . 100.0 113.192 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.515 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.5 mtt -80.67 -179.18 7.11 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 116.314 1.968 . . . . 100.0 116.314 -176.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 20' ' ' PHE . 83.1 m -72.39 164.84 25.68 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 119.747 -1.845 . . . . 100.0 109.296 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.13 -42.63 95.2 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 126.834 2.053 . . . . 100.0 108.018 178.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.22 -38.92 92.78 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.896 1.678 . . . . 100.0 110.385 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -91.0 12.14 20.65 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 126.56 1.944 . . . . 100.0 112.253 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.82 -41.64 89.79 Favored Pre-proline 0 N--CA 1.441 -0.91 0 CA-C-O 115.424 -2.227 . . . . 100.0 113.26 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -59.17 -33.79 98.31 Favored 'Trans proline' 0 C--N 1.38 2.193 0 CA-C-N 124.056 2.484 . . . . 100.0 112.457 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.06 -23.53 64.97 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 124.119 0.968 . . . . 100.0 112.582 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.515 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.5 m -61.07 -35.88 78.13 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 125.058 1.343 . . . . 100.0 110.374 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.86 -38.38 85.36 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.097 1.359 . . . . 100.0 110.551 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.43 139.07 57.09 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 106.807 -1.553 . . . . 100.0 106.807 177.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.47 14.82 19.5 Favored 'General case' 0 N--CA 1.434 -1.275 0 N-CA-C 114.577 1.325 . . . . 100.0 114.577 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.58 -42.1 95.99 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 125.78 1.632 . . . . 100.0 110.939 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -62.04 -43.56 98.57 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 125.357 1.463 . . . . 100.0 110.999 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -63.6 -39.94 95.67 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 124.351 1.061 . . . . 100.0 111.608 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -66.03 149.04 50.87 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 124.183 0.993 . . . . 100.0 109.868 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.34 4.4 66.33 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 119.035 -0.869 . . . . 100.0 113.493 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -99.38 144.48 28.44 Favored 'General case' 0 CA--C 1.493 -1.234 0 CA-C-N 118.139 0.97 . . . . 100.0 110.367 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -59.87 -49.23 78.51 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 125.353 1.461 . . . . 100.0 114.042 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.0 mt -131.91 121.91 24.78 Favored 'General case' 0 CA--C 1.485 -1.552 0 CA-C-N 118.785 0.72 . . . . 100.0 110.441 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.96 -37.64 81.81 Favored 'General case' 0 CA--C 1.499 -1.018 0 C-N-CA 124.217 1.007 . . . . 100.0 110.59 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.59 -24.7 67.7 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 126.498 1.919 . . . . 100.0 112.667 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.525 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 75.3 t80 -61.85 134.1 56.29 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 123.298 0.639 . . . . 100.0 110.45 -178.421 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -78.83 121.7 25.14 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-O 122.577 1.18 . . . . 100.0 110.742 -177.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -149.46 -177.94 6.14 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 126.849 2.06 . . . . 100.0 107.923 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -61.67 -42.51 99.02 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 124.587 1.155 . . . . 100.0 110.571 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.9 p90 -68.37 154.18 42.3 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-O 121.011 0.434 . . . . 100.0 110.622 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -78.22 124.85 85.73 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-N 115.88 -0.6 . . . . 100.0 109.856 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -59.5 -35.0 96.99 Favored 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 124.646 3.564 . . . . 100.0 114.113 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -75.37 128.56 35.64 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 107.219 -1.401 . . . . 100.0 107.219 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -104.01 129.96 51.65 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 123.669 0.606 . . . . 100.0 110.442 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.2 mt -63.58 -44.23 94.66 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 124.359 1.064 . . . . 100.0 112.439 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.57 -45.01 94.9 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 123.752 0.821 . . . . 100.0 113.208 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.467 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 52.6 p -88.41 84.43 6.82 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 121.757 0.789 . . . . 100.0 109.33 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -93.44 107.95 19.71 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 106.974 -1.491 . . . . 100.0 106.974 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.97 -12.21 62.64 Favored Glycine 0 N--CA 1.432 -1.575 0 CA-C-N 113.576 -1.647 . . . . 100.0 112.717 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.467 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 81.3 mt-10 -71.41 -42.19 68.64 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 118.987 1.393 . . . . 100.0 111.802 178.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -65.11 -41.82 94.57 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-O 118.923 -0.561 . . . . 100.0 112.354 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . 0.281 71.3 m-20 52.71 42.85 31.8 Favored 'General case' 0 C--N 1.364 1.234 0 N-CA-C 114.229 1.196 . . . . 100.0 114.229 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.4 t -104.92 -50.36 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 105.285 -2.117 . . . . 100.0 105.285 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.313 42.7 m-85 -65.72 -38.92 90.49 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.42 2.008 . . . . 100.0 116.42 -178.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -62.24 -47.94 88.75 Favored Pre-proline 0 C--N 1.358 0.952 0 CA-C-O 117.156 -1.402 . . . . 100.0 112.816 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -76.55 -15.4 17.45 Favored 'Trans proline' 0 C--N 1.377 2.056 0 CA-C-N 121.92 1.722 . . . . 100.0 114.318 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 54.38 44.5 28.82 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 124.94 1.296 . . . . 100.0 113.552 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.31 125.24 49.84 Favored 'General case' 0 CA--C 1.494 -1.198 0 N-CA-C 106.999 -1.482 . . . . 100.0 106.999 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -113.34 117.56 32.13 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 103.121 -2.918 . . . . 100.0 103.121 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.4 mtm -120.14 108.91 14.81 Favored 'General case' 0 N--CA 1.432 -1.352 0 N-CA-C 106.094 -1.817 . . . . 100.0 106.094 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.486 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 50.2 mt-10 -64.09 -41.13 97.4 Favored 'General case' 0 CA--C 1.493 -1.235 0 CA-C-N 114.383 -1.28 . . . . 100.0 112.866 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.51 -44.12 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 C-N-CA 124.591 1.156 . . . . 100.0 110.14 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.18 -48.72 87.12 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 CA-C-O 118.383 -0.818 . . . . 100.0 111.163 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.525 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.388 15.7 p90 -69.51 -38.7 77.71 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 115.142 1.534 . . . . 100.0 115.142 -179.584 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 . . . . . 0 N--CA 1.436 -1.146 0 CA-C-O 122.896 1.331 . . . . 100.0 113.206 -178.407 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.362 0 N-CA-C 110.06 -1.216 . . . . 100.0 110.06 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -128.04 152.58 47.78 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 113.429 -1.386 . . . . 100.0 108.546 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.3 m -84.4 83.28 8.05 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 105.952 -1.87 . . . . 100.0 105.952 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.73 141.67 46.25 Favored 'General case' 0 N--CA 1.427 -1.593 0 N-CA-C 104.154 -2.536 . . . . 100.0 104.154 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.57 36.51 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 115.321 -0.854 . . . . 100.0 110.749 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.09 28.66 18.0 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 113.076 -1.875 . . . . 100.0 112.777 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.9 p 51.71 43.39 29.96 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.846 2.058 . . . . 100.0 113.048 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.28 138.57 45.57 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 107.837 -1.171 . . . . 100.0 107.837 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.03 130.21 36.2 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 107.0 -1.482 . . . . 100.0 107.0 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -62.56 -42.06 99.3 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 117.618 2.451 . . . . 100.0 117.618 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.413 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.28 157.27 38.41 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-O 122.399 1.095 . . . . 100.0 113.403 -177.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -81.78 87.25 6.35 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 113.916 -1.493 . . . . 100.0 109.198 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.429 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.07 -10.95 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 N-CA-C 119.5 3.148 . . . . 100.0 119.5 -178.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.06 147.34 52.38 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 119.872 1.214 . . . . 100.0 109.22 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.07 92.46 Favored 'General case' 0 CA--C 1.497 -1.095 0 C-N-CA 125.24 1.416 . . . . 100.0 113.145 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.489 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -63.01 -42.28 99.77 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 117.291 -1.337 . . . . 100.0 112.914 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 p 164.05 -48.06 0.0 OUTLIER 'General case' 0 C--N 1.377 1.782 0 O-C-N 124.691 1.244 . . . . 100.0 113.215 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.518 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.65 -179.15 7.09 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 116.357 1.984 . . . . 100.0 116.357 -176.316 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 20' ' ' PHE . 84.5 m -72.5 164.83 25.77 Favored 'General case' 0 C--N 1.36 1.023 0 O-C-N 119.818 -1.801 . . . . 100.0 109.266 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.426 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.4 t80 -60.06 -42.65 94.98 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 126.811 2.044 . . . . 100.0 108.029 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.23 -38.9 92.69 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.932 1.693 . . . . 100.0 110.391 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -90.99 12.06 20.91 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 126.541 1.937 . . . . 100.0 112.251 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -58.81 -41.57 89.41 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-O 115.432 -2.223 . . . . 100.0 113.318 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.21 -33.75 98.16 Favored 'Trans proline' 0 C--N 1.379 2.182 0 CA-C-N 124.065 2.487 . . . . 100.0 112.469 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.14 -23.5 64.89 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 124.134 0.973 . . . . 100.0 112.539 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.3 m -61.04 -35.9 78.14 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 125.032 1.333 . . . . 100.0 110.402 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.89 -38.27 85.1 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 124.999 1.319 . . . . 100.0 110.567 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.49 139.05 57.01 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 106.753 -1.573 . . . . 100.0 106.753 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.45 11.35 31.03 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 114.596 1.332 . . . . 100.0 114.596 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -61.83 -38.92 89.98 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 113.449 0.907 . . . . 100.0 113.449 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -61.95 -42.34 99.0 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 124.178 0.991 . . . . 100.0 110.072 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -63.51 -39.96 95.8 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 124.214 1.006 . . . . 100.0 111.086 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -68.33 152.54 45.28 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.395 0.678 . . . . 100.0 110.001 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.88 6.3 63.67 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 115.791 -0.64 . . . . 100.0 112.202 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -103.89 144.67 31.21 Favored 'General case' 0 CA--C 1.494 -1.178 0 CA-C-O 121.628 0.728 . . . . 100.0 109.291 177.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -60.06 -49.22 78.5 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.373 1.469 . . . . 100.0 113.897 -177.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -132.84 125.2 29.47 Favored 'General case' 0 CA--C 1.486 -1.493 0 CA-C-N 118.93 0.786 . . . . 100.0 110.01 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.83 -38.1 85.79 Favored 'General case' 0 CA--C 1.498 -1.05 0 C-N-CA 124.715 1.206 . . . . 100.0 110.393 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.75 -25.02 67.99 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 126.795 2.038 . . . . 100.0 112.902 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -62.12 131.63 50.16 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 123.955 0.902 . . . . 100.0 109.098 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -82.9 123.75 29.69 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 122.325 1.06 . . . . 100.0 112.573 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -148.48 -171.8 3.93 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 127.652 2.381 . . . . 100.0 107.967 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.3 -43.5 96.25 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 125.17 1.388 . . . . 100.0 111.895 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 29.7 p90 -69.95 156.75 38.65 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 122.822 0.449 . . . . 100.0 110.71 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -78.29 124.63 85.67 Favored Pre-proline 0 N--CA 1.443 -0.825 0 N-CA-C 108.979 -0.748 . . . . 100.0 108.979 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -59.35 -36.19 94.92 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 124.386 3.39 . . . . 100.0 113.629 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.7 tt0 -79.22 127.72 32.4 Favored 'General case' 0 CA--C 1.495 -1.142 0 N-CA-C 105.32 -2.104 . . . . 100.0 105.32 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.422 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 60.3 mt-10 -98.72 129.63 45.18 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-O 121.983 0.897 . . . . 100.0 109.706 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.59 -47.38 85.73 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 125.658 1.583 . . . . 100.0 113.616 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.3 -40.86 90.28 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 113.347 0.869 . . . . 100.0 113.347 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.568 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 60.7 p -84.64 83.21 8.1 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-O 121.836 0.827 . . . . 100.0 109.629 -178.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -90.89 106.17 18.33 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 106.478 -1.675 . . . . 100.0 106.478 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.35 -12.76 61.82 Favored Glycine 0 N--CA 1.434 -1.493 0 CA-C-N 113.96 -1.473 . . . . 100.0 113.732 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.568 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 64.8 mt-10 -69.79 -42.18 74.1 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 118.465 1.133 . . . . 100.0 111.029 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -63.84 -43.69 95.41 Favored 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 124.258 1.023 . . . . 100.0 110.903 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.2 t70 53.87 43.04 31.49 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.552 1.941 . . . . 100.0 111.558 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.6 t -102.85 -48.43 10.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 N-CA-C 104.833 -2.284 . . . . 100.0 104.833 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.384 25.5 m-85 -64.52 -38.21 90.24 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 116.532 2.049 . . . . 100.0 116.532 -179.217 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.456 ' HB2' ' HD3' ' A' ' 60' ' ' PRO . 49.9 m-20 -62.06 -47.83 89.8 Favored Pre-proline 0 C--N 1.36 1.038 0 CA-C-O 116.967 -1.492 . . . . 100.0 111.2 178.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.456 ' HD3' ' HB2' ' A' ' 59' ' ' ASP . 32.3 Cg_exo -68.23 -25.32 36.92 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.611 2.207 . . . . 100.0 112.449 177.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 55.81 41.11 30.55 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 127.258 2.223 . . . . 100.0 111.93 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.6 tp -119.07 127.47 53.42 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 106.869 -1.53 . . . . 100.0 106.869 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -112.42 120.91 43.27 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 103.015 -2.958 . . . . 100.0 103.015 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 69.1 mtm -114.11 111.4 21.54 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 106.287 -1.746 . . . . 100.0 106.287 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.505 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 75.7 mt-10 -64.32 -40.52 96.08 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 114.392 -1.276 . . . . 100.0 112.968 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.38 -43.42 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 C-N-CA 124.828 1.251 . . . . 100.0 109.983 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.8 t -61.97 -47.73 91.85 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 CA-C-O 118.798 -0.62 . . . . 100.0 110.988 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.505 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.414 23.9 p90 -69.59 -38.05 77.17 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 115.3 1.593 . . . . 100.0 115.3 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 N--CA 1.441 -0.879 0 CA-C-O 122.448 1.118 . . . . 100.0 111.731 -178.214 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.359 0 N-CA-C 110.013 -1.235 . . . . 100.0 110.013 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.07 152.63 47.74 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 113.4 -1.4 . . . . 100.0 108.568 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.3 m -84.42 83.26 8.05 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 105.981 -1.859 . . . . 100.0 105.981 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.73 141.71 46.2 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 104.117 -2.549 . . . . 100.0 104.117 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.82 128.57 36.52 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 115.278 -0.874 . . . . 100.0 110.779 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.06 28.66 18.0 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 113.082 -1.872 . . . . 100.0 112.822 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.1 p 51.68 43.44 29.89 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 126.832 2.053 . . . . 100.0 113.028 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.0 m -73.3 138.55 45.52 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 107.813 -1.18 . . . . 100.0 107.813 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.22 36.21 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 106.991 -1.485 . . . . 100.0 106.991 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -62.61 -41.99 99.32 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 117.627 2.455 . . . . 100.0 117.627 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.409 ' HG2' HG23 ' A' ' 13' ' ' ILE 0.25 15.5 pm0 -71.2 157.24 38.49 Favored 'General case' 0 CA--C 1.498 -1.056 0 CA-C-O 122.39 1.09 . . . . 100.0 113.419 -177.771 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -81.78 87.26 6.35 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 113.964 -1.471 . . . . 100.0 109.238 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.42 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.02 -11.04 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 N-CA-C 119.548 3.166 . . . . 100.0 119.548 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.08 147.33 52.42 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 119.79 1.177 . . . . 100.0 109.186 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.06 92.12 Favored 'General case' 0 CA--C 1.497 -1.095 0 C-N-CA 125.262 1.425 . . . . 100.0 113.184 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -63.13 -42.21 99.47 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 117.253 -1.356 . . . . 100.0 112.909 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.3 p 164.01 -47.97 0.0 OUTLIER 'General case' 0 C--N 1.376 1.759 0 O-C-N 124.666 1.229 . . . . 100.0 113.279 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.518 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.5 mtt -80.73 -179.15 7.12 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 116.35 1.981 . . . . 100.0 116.35 -176.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 20' ' ' PHE . 83.9 m -72.4 164.87 25.64 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 119.773 -1.829 . . . . 100.0 109.292 -178.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.415 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.16 -42.62 95.32 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 126.823 2.049 . . . . 100.0 108.01 178.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.21 -38.92 92.78 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.937 1.695 . . . . 100.0 110.417 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -91.04 12.19 20.59 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.523 1.929 . . . . 100.0 112.265 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.9 -41.54 89.16 Favored Pre-proline 0 N--CA 1.441 -0.912 0 CA-C-O 115.375 -2.25 . . . . 100.0 113.311 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.2 -33.77 98.19 Favored 'Trans proline' 0 C--N 1.378 2.13 0 CA-C-N 124.085 2.495 . . . . 100.0 112.455 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.09 -23.55 64.94 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 124.104 0.961 . . . . 100.0 112.562 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 92.8 m -61.01 -35.9 78.09 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 124.98 1.312 . . . . 100.0 110.455 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.81 -38.34 85.07 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 125.044 1.338 . . . . 100.0 110.58 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.46 139.12 57.04 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 106.768 -1.567 . . . . 100.0 106.768 177.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.54 11.69 30.03 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 114.548 1.314 . . . . 100.0 114.548 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -60.75 -41.08 94.7 Favored 'General case' 0 CA--C 1.501 -0.917 0 C-N-CA 124.493 1.117 . . . . 100.0 111.725 -178.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -63.1 -39.6 95.17 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 125.061 1.344 . . . . 100.0 109.9 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.9 ' HA ' ' HE1' ' A' ' 44' ' ' TRP . 86.2 mtt180 -61.91 -41.83 98.38 Favored 'General case' 0 CA--C 1.493 -1.234 0 C-N-CA 124.325 1.05 . . . . 100.0 112.286 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -66.9 147.26 53.47 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 109.147 -0.686 . . . . 100.0 109.147 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.56 -7.85 68.56 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-O 118.267 -1.296 . . . . 100.0 113.955 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -81.04 149.74 29.13 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 119.247 1.524 . . . . 100.0 110.459 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -60.43 -50.17 74.67 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 113.976 1.102 . . . . 100.0 113.976 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 68' ' ' PHE . 69.2 tp -142.04 129.64 21.46 Favored 'General case' 0 CA--C 1.488 -1.438 0 N-CA-C 107.897 -1.149 . . . . 100.0 107.897 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.15 -40.61 96.52 Favored 'General case' 0 CA--C 1.499 -0.988 0 C-N-CA 124.403 1.081 . . . . 100.0 111.507 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.76 -22.5 66.94 Favored 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.838 1.655 . . . . 100.0 114.635 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.542 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 86.7 t80 -60.86 130.58 47.19 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 109.088 -0.708 . . . . 100.0 109.088 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -87.47 123.9 32.87 Favored 'General case' 0 CA--C 1.487 -1.463 0 CA-C-O 122.901 1.334 . . . . 100.0 113.754 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.622 ' HG3' ' HB3' ' A' ' 44' ' ' TRP . 10.7 pt-20 -153.76 -173.3 4.52 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 112.762 -2.017 . . . . 100.0 106.956 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -61.5 -39.78 92.21 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 123.608 0.763 . . . . 100.0 112.063 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.9 ' HE1' ' HA ' ' A' ' 32' ' ' ARG 0.339 64.9 t90 -57.66 137.34 56.54 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 130.446 3.498 . . . . 100.0 106.161 178.342 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -78.31 120.26 80.46 Favored Pre-proline 0 C--N 1.362 1.15 0 N-CA-C 112.686 0.624 . . . . 100.0 112.686 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -60.78 -36.49 84.06 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 124.301 3.334 . . . . 100.0 114.033 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.8 tt0 -79.9 127.83 32.72 Favored 'General case' 0 CA--C 1.492 -1.256 0 N-CA-C 105.537 -2.023 . . . . 100.0 105.537 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -101.67 130.36 48.01 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 121.642 0.734 . . . . 100.0 109.619 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.8 mt -61.74 -46.38 89.88 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 124.994 1.318 . . . . 100.0 113.002 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.55 -42.73 95.52 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 113.598 0.962 . . . . 100.0 113.598 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 47.8 p -86.32 82.87 7.84 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 121.8 0.81 . . . . 100.0 110.006 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -92.13 107.08 18.95 Favored 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 106.79 -1.559 . . . . 100.0 106.79 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.95 -13.68 60.63 Favored Glycine 0 N--CA 1.433 -1.508 0 CA-C-N 113.906 -1.497 . . . . 100.0 113.269 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.514 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 91.5 mt-10 -70.71 -40.45 72.82 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 118.987 1.394 . . . . 100.0 110.821 178.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -62.46 -44.85 95.42 Favored 'General case' 0 CA--C 1.498 -1.028 0 C-N-CA 125.202 1.401 . . . . 100.0 111.686 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 54.05 41.06 32.17 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 125.231 1.412 . . . . 100.0 112.171 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.6 t -105.87 -51.65 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 N-CA-C 105.846 -1.909 . . . . 100.0 105.846 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.337 26.1 m-85 -65.41 -38.75 90.87 Favored 'General case' 0 CA--C 1.486 -1.487 0 N-CA-C 116.851 2.167 . . . . 100.0 116.851 -178.787 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -61.69 -48.35 90.04 Favored Pre-proline 0 C--N 1.356 0.884 0 CA-C-O 116.861 -1.542 . . . . 100.0 112.337 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -75.04 -18.12 18.9 Favored 'Trans proline' 0 C--N 1.379 2.158 0 CA-C-N 122.308 1.86 . . . . 100.0 112.984 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 54.11 45.12 28.13 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.314 1.846 . . . . 100.0 111.938 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.0 mt -108.15 127.15 53.56 Favored 'General case' 0 CA--C 1.491 -1.293 0 N-CA-C 107.166 -1.42 . . . . 100.0 107.166 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -113.71 118.8 35.35 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 103.084 -2.932 . . . . 100.0 103.084 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.2 mtm -116.26 112.04 21.02 Favored 'General case' 0 CA--C 1.491 -1.315 0 N-CA-C 105.552 -2.018 . . . . 100.0 105.552 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.446 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 63.7 mt-10 -63.93 -42.35 97.38 Favored 'General case' 0 CA--C 1.493 -1.212 0 CA-C-N 114.072 -1.422 . . . . 100.0 112.89 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.39 -44.6 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 C-N-CA 125.029 1.331 . . . . 100.0 110.401 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.2 t -62.42 -48.64 87.37 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 CA-C-O 118.618 -0.706 . . . . 100.0 111.45 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.542 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.372 8.4 p90 -70.1 -39.18 75.69 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 115.092 1.516 . . . . 100.0 115.092 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 . . . . . 0 N--CA 1.437 -1.113 0 CA-C-O 122.304 1.05 . . . . 100.0 113.777 -177.664 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.41 0 N-CA-C 110.064 -1.214 . . . . 100.0 110.064 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -127.96 152.6 47.7 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 113.415 -1.393 . . . . 100.0 108.589 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.1 m -84.42 83.28 8.05 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 105.991 -1.855 . . . . 100.0 105.991 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.75 141.67 46.28 Favored 'General case' 0 N--CA 1.428 -1.566 0 N-CA-C 104.135 -2.543 . . . . 100.0 104.135 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.81 128.53 36.35 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 115.329 -0.85 . . . . 100.0 110.762 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.04 28.72 18.08 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.045 -1.889 . . . . 100.0 112.776 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.3 p 51.73 43.36 30.02 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 126.816 2.047 . . . . 100.0 113.029 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.26 138.58 45.6 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 107.838 -1.171 . . . . 100.0 107.838 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.19 36.18 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 106.942 -1.503 . . . . 100.0 106.942 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.6 -42.0 99.31 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 117.655 2.465 . . . . 100.0 117.655 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.412 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.26 157.25 38.44 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-O 122.398 1.094 . . . . 100.0 113.411 -177.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -81.73 87.28 6.33 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 113.913 -1.494 . . . . 100.0 109.216 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.423 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.09 -10.99 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 N-CA-C 119.499 3.148 . . . . 100.0 119.499 -178.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.11 147.33 52.47 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 119.809 1.186 . . . . 100.0 109.193 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.65 -42.06 91.94 Favored 'General case' 0 CA--C 1.497 -1.087 0 C-N-CA 125.234 1.414 . . . . 100.0 113.203 -176.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.487 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.8 m80 -63.07 -42.26 99.63 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-O 117.281 -1.343 . . . . 100.0 112.868 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.01 -48.05 0.0 OUTLIER 'General case' 0 C--N 1.377 1.788 0 O-C-N 124.673 1.233 . . . . 100.0 113.214 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.517 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.3 mtt -80.62 -179.16 7.08 Favored 'General case' 0 CA--C 1.504 -0.817 0 N-CA-C 116.343 1.979 . . . . 100.0 116.343 -176.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 20' ' ' PHE . 84.6 m -72.46 164.88 25.67 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 119.807 -1.808 . . . . 100.0 109.24 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.4 t80 -60.1 -42.71 95.26 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 126.873 2.069 . . . . 100.0 107.982 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' H ' HG22 ' A' ' 19' ' ' THR . 87.0 tt0 -64.15 -38.99 93.06 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 125.955 1.702 . . . . 100.0 110.374 178.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -90.98 12.15 20.6 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 126.506 1.922 . . . . 100.0 112.277 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -58.84 -41.56 89.33 Favored Pre-proline 0 N--CA 1.44 -0.951 0 CA-C-O 115.432 -2.223 . . . . 100.0 113.328 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -59.22 -33.75 98.1 Favored 'Trans proline' 0 C--N 1.379 2.175 0 CA-C-N 124.081 2.493 . . . . 100.0 112.446 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.07 -23.54 64.96 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 124.138 0.975 . . . . 100.0 112.527 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.3 m -61.07 -35.9 78.18 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.073 1.349 . . . . 100.0 110.385 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.85 -38.35 85.25 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.063 1.345 . . . . 100.0 110.541 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.49 139.08 57.0 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 106.757 -1.572 . . . . 100.0 106.757 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.46 16.47 15.19 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 114.583 1.327 . . . . 100.0 114.583 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -59.99 -45.0 94.15 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 125.436 1.494 . . . . 100.0 111.812 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -61.76 -44.21 97.35 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.034 1.333 . . . . 100.0 111.452 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -63.66 -39.74 95.09 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 126.333 1.853 . . . . 100.0 111.99 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -69.79 148.67 48.84 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 109.024 -0.732 . . . . 100.0 109.024 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.45 -8.36 69.05 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-O 118.435 -1.203 . . . . 100.0 113.137 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -81.58 142.95 32.33 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 118.927 1.363 . . . . 100.0 109.044 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -61.39 -48.33 81.71 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 124.075 0.95 . . . . 100.0 113.546 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.68 124.3 33.27 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 118.729 0.695 . . . . 100.0 110.617 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.9 -39.25 87.38 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 123.838 0.855 . . . . 100.0 110.169 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.71 -24.64 67.77 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 127.029 2.132 . . . . 100.0 113.522 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.439 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 89.0 t80 -60.47 132.96 55.56 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 123.454 0.701 . . . . 100.0 109.807 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -82.89 121.19 26.64 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.842 -1.072 . . . . 100.0 110.15 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.516 ' HG2' ' H ' ' A' ' 43' ' ' GLU . 30.4 tt0 -149.28 -177.4 5.82 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 104.488 -2.412 . . . . 100.0 104.488 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.516 ' H ' ' HG2' ' A' ' 42' ' ' GLU . 86.9 tt0 -61.46 -42.22 98.44 Favored 'General case' 0 C--N 1.356 0.853 0 O-C-N 121.012 -1.055 . . . . 100.0 111.735 -178.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.8 p-90 -65.87 149.42 50.22 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.427 0.691 . . . . 100.0 111.603 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -73.39 122.4 87.53 Favored Pre-proline 0 C--N 1.357 0.907 0 C-N-CA 123.322 0.649 . . . . 100.0 111.859 -177.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -59.79 -37.16 88.44 Favored 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 124.33 3.353 . . . . 100.0 113.934 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -79.46 127.58 32.29 Favored 'General case' 0 CA--C 1.49 -1.334 0 N-CA-C 105.602 -1.999 . . . . 100.0 105.602 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -102.15 133.0 47.71 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 122.054 0.93 . . . . 100.0 112.379 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.4 mt -62.17 -45.99 90.95 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 125.821 1.648 . . . . 100.0 112.578 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.77 -41.29 97.99 Favored 'General case' 0 CA--C 1.494 -1.198 0 C-N-CA 124.141 0.976 . . . . 100.0 112.399 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.475 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 72.6 p -85.05 88.28 7.45 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-O 121.469 0.652 . . . . 100.0 109.558 -178.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -95.12 99.85 11.76 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 104.409 -2.441 . . . . 100.0 104.409 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.51 -10.85 65.49 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 114.381 -1.281 . . . . 100.0 114.313 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.475 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 46.3 mt-10 -69.96 -42.57 73.0 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 118.772 1.286 . . . . 100.0 111.092 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -64.25 -43.89 93.47 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 124.062 0.945 . . . . 100.0 110.503 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.6 t70 52.61 41.67 31.29 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 127.867 2.467 . . . . 100.0 111.181 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.9 t -103.33 -48.2 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 N-CA-C 105.453 -2.054 . . . . 100.0 105.453 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.391 54.8 m-85 -66.01 -37.71 86.61 Favored 'General case' 0 CA--C 1.488 -1.439 0 N-CA-C 117.427 2.38 . . . . 100.0 117.427 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -61.23 -48.58 91.21 Favored Pre-proline 0 C--N 1.358 0.971 0 CA-C-O 116.814 -1.565 . . . . 100.0 111.128 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -74.73 -20.49 17.49 Favored 'Trans proline' 0 C--N 1.381 2.272 0 CA-C-N 122.302 1.858 . . . . 100.0 112.774 177.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.4 t70 53.47 45.33 28.48 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 127.946 2.498 . . . . 100.0 112.296 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.9 mt -110.75 125.68 53.78 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 105.315 -2.106 . . . . 100.0 105.315 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -111.94 123.64 50.67 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 104.646 -2.353 . . . . 100.0 104.646 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 64.3 mtt -111.47 111.04 21.78 Favored 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 105.52 -2.03 . . . . 100.0 105.52 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.426 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 50.7 mt-10 -63.92 -42.02 97.49 Favored 'General case' 0 CA--C 1.493 -1.216 0 CA-C-N 114.22 -1.355 . . . . 100.0 112.815 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.48 -44.36 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 C-N-CA 124.918 1.287 . . . . 100.0 110.344 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.5 t -62.52 -48.36 88.59 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 CA-C-O 118.017 -0.992 . . . . 100.0 111.169 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.439 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.343 6.5 p90 -68.66 -38.07 80.12 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 114.15 1.167 . . . . 100.0 114.15 -179.203 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 . . . . . 0 N--CA 1.436 -1.174 0 CA-C-O 122.838 1.304 . . . . 100.0 113.673 -177.842 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.387 0 N-CA-C 110.045 -1.222 . . . . 100.0 110.045 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.06 152.59 47.78 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 113.432 -1.384 . . . . 100.0 108.527 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.5 m -84.38 83.21 8.07 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 105.991 -1.855 . . . . 100.0 105.991 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.7 141.68 46.2 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 104.13 -2.544 . . . . 100.0 104.13 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.82 128.6 36.67 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 115.314 -0.857 . . . . 100.0 110.788 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.0 28.75 18.11 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 113.028 -1.896 . . . . 100.0 112.77 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 p 51.7 43.38 29.97 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.784 2.034 . . . . 100.0 113.059 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.32 138.56 45.49 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.796 -1.187 . . . . 100.0 107.796 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.01 130.22 36.22 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 106.99 -1.485 . . . . 100.0 106.99 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.59 -42.05 99.33 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 117.606 2.447 . . . . 100.0 117.606 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.415 ' HG2' HG23 ' A' ' 13' ' ' ILE 0.25 15.5 pm0 -71.18 157.21 38.54 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 122.388 1.09 . . . . 100.0 113.404 -177.767 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.75 87.25 6.34 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 113.912 -1.495 . . . . 100.0 109.273 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.09 -10.93 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 N-CA-C 119.502 3.149 . . . . 100.0 119.502 -178.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.13 147.34 52.46 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-N 119.795 1.179 . . . . 100.0 109.202 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.06 92.12 Favored 'General case' 0 CA--C 1.497 -1.084 0 C-N-CA 125.238 1.415 . . . . 100.0 113.139 -176.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -63.02 -42.32 99.78 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-O 117.289 -1.339 . . . . 100.0 112.891 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.03 -48.0 0.0 OUTLIER 'General case' 0 C--N 1.377 1.785 0 O-C-N 124.698 1.249 . . . . 100.0 113.231 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.521 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.3 mtt -80.63 -179.11 7.06 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 116.346 1.98 . . . . 100.0 116.346 -176.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 20' ' ' PHE . 83.4 m -72.51 164.83 25.78 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 119.795 -1.815 . . . . 100.0 109.299 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.421 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.04 -42.69 94.97 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.799 2.04 . . . . 100.0 108.021 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.14 -38.92 92.81 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 125.938 1.695 . . . . 100.0 110.445 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -91.06 12.13 20.83 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.596 1.958 . . . . 100.0 112.264 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.6 89.56 Favored Pre-proline 0 N--CA 1.441 -0.92 0 CA-C-O 115.421 -2.228 . . . . 100.0 113.272 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -59.25 -33.73 97.99 Favored 'Trans proline' 0 C--N 1.38 2.188 0 CA-C-N 124.034 2.476 . . . . 100.0 112.427 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.07 -23.59 64.97 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 124.144 0.978 . . . . 100.0 112.51 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 92.8 m -61.0 -35.93 78.14 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 125.094 1.358 . . . . 100.0 110.406 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.86 -38.32 85.16 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.079 1.351 . . . . 100.0 110.594 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.45 139.08 57.06 Favored 'General case' 0 C--N 1.36 1.043 0 N-CA-C 106.755 -1.572 . . . . 100.0 106.755 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.53 13.24 24.66 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 114.569 1.322 . . . . 100.0 114.569 -178.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -60.52 -42.29 96.15 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.338 1.055 . . . . 100.0 111.084 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -62.74 -43.96 97.44 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 125.414 1.486 . . . . 100.0 111.193 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -64.2 -42.91 96.44 Favored 'General case' 0 CA--C 1.497 -1.06 0 C-N-CA 123.928 0.891 . . . . 100.0 112.403 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -70.72 151.81 44.5 Favored 'General case' 0 CA--C 1.495 -1.149 0 CA-C-O 121.748 0.785 . . . . 100.0 113.078 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.64 7.12 63.4 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 115.12 -0.945 . . . . 100.0 111.745 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -103.68 148.46 26.01 Favored 'General case' 0 CA--C 1.49 -1.338 0 C-N-CA 123.484 0.714 . . . . 100.0 109.492 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -59.02 -49.43 77.92 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 114.906 1.447 . . . . 100.0 114.906 -175.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 68' ' ' PHE . 58.3 tp -138.97 125.0 19.96 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 116.623 -2.031 . . . . 100.0 109.898 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.57 -38.36 89.31 Favored 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 125.403 1.481 . . . . 100.0 111.215 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.32 -23.57 66.83 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 126.749 2.019 . . . . 100.0 112.705 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.566 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 90.6 t80 -62.15 130.47 45.61 Favored 'General case' 0 C--N 1.367 1.336 0 N-CA-C 108.384 -0.969 . . . . 100.0 108.384 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -89.52 122.84 33.08 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-O 122.758 1.266 . . . . 100.0 110.717 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -148.45 -165.88 2.39 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 113.086 -1.87 . . . . 100.0 106.668 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.8 -42.67 98.07 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-O 118.058 -0.972 . . . . 100.0 113.594 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.7 p90 -70.35 156.82 38.79 Favored 'General case' 0 C--N 1.362 1.147 0 CA-C-N 119.351 0.978 . . . . 100.0 111.522 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -76.66 123.1 87.57 Favored Pre-proline 0 N--CA 1.442 -0.842 0 N-CA-C 108.041 -1.096 . . . . 100.0 108.041 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -59.94 -34.63 95.07 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 124.392 3.395 . . . . 100.0 113.782 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -78.37 127.13 31.76 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 105.891 -1.892 . . . . 100.0 105.891 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -97.97 130.14 44.83 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-N 115.426 -0.806 . . . . 100.0 110.306 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -62.6 -46.33 88.78 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 114.535 -1.211 . . . . 100.0 112.994 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.34 -43.12 91.93 Favored 'General case' 0 CA--C 1.497 -1.081 0 N-CA-C 113.842 1.053 . . . . 100.0 113.842 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.528 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 47.4 p -87.28 80.64 8.16 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 121.237 0.541 . . . . 100.0 109.672 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -92.84 109.66 21.1 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 106.922 -1.511 . . . . 100.0 106.922 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.82 -14.55 61.43 Favored Glycine 0 N--CA 1.432 -1.574 0 CA-C-N 113.289 -1.778 . . . . 100.0 113.082 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.528 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 86.1 mt-10 -70.38 -43.11 70.75 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 118.712 1.256 . . . . 100.0 111.726 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -64.92 -43.93 91.18 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 123.658 0.783 . . . . 100.0 109.833 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.8 t70 51.78 43.82 29.75 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 127.86 2.464 . . . . 100.0 111.753 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.3 t -102.32 -48.23 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 N-CA-C 105.21 -2.144 . . . . 100.0 105.21 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.38 57.4 m-85 -65.56 -37.37 86.5 Favored 'General case' 0 N--CA 1.428 -1.573 0 N-CA-C 116.806 2.15 . . . . 100.0 116.806 -178.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -61.36 -48.47 91.02 Favored Pre-proline 0 C--N 1.36 1.048 0 CA-C-O 116.868 -1.539 . . . . 100.0 111.359 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -75.85 -18.87 16.63 Favored 'Trans proline' 0 C--N 1.379 2.146 0 CA-C-N 122.435 1.905 . . . . 100.0 112.741 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.2 t70 53.97 43.58 30.61 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 126.743 2.017 . . . . 100.0 112.985 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.8 tp -109.22 121.14 44.53 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 105.077 -2.194 . . . . 100.0 105.077 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -117.11 124.74 49.95 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 103.474 -2.788 . . . . 100.0 103.474 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 66.6 mtm -114.1 118.57 34.42 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 106.312 -1.736 . . . . 100.0 106.312 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.495 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 54.1 mt-10 -63.25 -43.06 99.06 Favored 'General case' 0 CA--C 1.492 -1.264 0 CA-C-N 114.055 -1.429 . . . . 100.0 113.347 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.53 -43.77 97.47 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 C-N-CA 124.704 1.202 . . . . 100.0 110.257 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.12 -48.07 90.21 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 CA-C-O 118.403 -0.808 . . . . 100.0 110.522 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.566 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.404 12.3 p90 -69.45 -39.19 77.92 Favored 'General case' 0 C--N 1.361 1.087 0 N-CA-C 115.476 1.658 . . . . 100.0 115.476 -179.666 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 N--CA 1.44 -0.968 0 CA-C-O 122.888 1.328 . . . . 100.0 111.585 -178.158 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.349 0 N-CA-C 110.007 -1.237 . . . . 100.0 110.007 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -128.03 152.6 47.74 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 113.404 -1.398 . . . . 100.0 108.552 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.9 m -84.43 83.28 8.05 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 105.989 -1.856 . . . . 100.0 105.989 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.7 141.66 46.23 Favored 'General case' 0 N--CA 1.427 -1.594 0 N-CA-C 104.171 -2.529 . . . . 100.0 104.171 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.79 128.58 36.59 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 115.324 -0.853 . . . . 100.0 110.771 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.01 28.75 18.11 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 113.083 -1.871 . . . . 100.0 112.769 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.2 p 51.61 43.43 29.8 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 126.81 2.044 . . . . 100.0 113.067 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.3 138.59 45.54 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 107.832 -1.173 . . . . 100.0 107.832 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.01 130.24 36.25 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 107.003 -1.48 . . . . 100.0 107.003 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.63 -42.0 99.34 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 117.646 2.461 . . . . 100.0 117.646 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.412 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.2 157.24 38.48 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-O 122.395 1.093 . . . . 100.0 113.447 -177.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.78 87.29 6.35 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 113.961 -1.472 . . . . 100.0 109.221 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.423 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.05 -11.06 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 N-CA-C 119.527 3.158 . . . . 100.0 119.527 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.3 t -64.06 147.29 52.5 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 119.81 1.186 . . . . 100.0 109.228 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.14 92.04 Favored 'General case' 0 CA--C 1.497 -1.07 0 C-N-CA 125.271 1.428 . . . . 100.0 113.152 -176.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.6 m80 -62.99 -42.31 99.81 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-O 117.257 -1.354 . . . . 100.0 112.903 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.6 p 164.04 -48.0 0.0 OUTLIER 'General case' 0 C--N 1.377 1.776 0 O-C-N 124.704 1.253 . . . . 100.0 113.23 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.522 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.65 -179.11 7.07 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 116.325 1.972 . . . . 100.0 116.325 -176.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 20' ' ' PHE . 86.5 m -72.52 164.82 25.79 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 119.814 -1.804 . . . . 100.0 109.244 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.42 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.0 -42.74 94.93 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 126.806 2.043 . . . . 100.0 108.018 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.13 -39.01 93.11 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 125.953 1.701 . . . . 100.0 110.416 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -90.94 12.09 20.69 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 126.548 1.939 . . . . 100.0 112.294 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.53 89.19 Favored Pre-proline 0 N--CA 1.44 -0.941 0 CA-C-O 115.407 -2.235 . . . . 100.0 113.322 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.22 -33.74 98.1 Favored 'Trans proline' 0 C--N 1.379 2.165 0 CA-C-N 124.095 2.498 . . . . 100.0 112.486 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.05 -23.6 64.98 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 124.145 0.978 . . . . 100.0 112.541 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.3 m -61.03 -35.93 78.19 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 125.039 1.336 . . . . 100.0 110.402 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.79 -38.35 85.03 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.024 1.33 . . . . 100.0 110.589 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.47 139.1 57.03 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 106.767 -1.568 . . . . 100.0 106.767 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.509 ' HG ' ' HD2' ' A' ' 32' ' ' ARG . 8.1 mp -94.5 16.95 14.04 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 114.579 1.326 . . . . 100.0 114.579 -178.205 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -60.63 -43.55 97.39 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.864 1.265 . . . . 100.0 110.702 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.44 -41.47 98.75 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.938 1.695 . . . . 100.0 111.55 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.707 ' HD3' ' HE1' ' A' ' 44' ' ' TRP . 68.4 mtt180 -61.49 -42.34 98.64 Favored 'General case' 0 CA--C 1.496 -1.105 0 C-N-CA 125.3 1.44 . . . . 100.0 111.099 -177.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -70.05 152.21 44.64 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 109.166 -0.679 . . . . 100.0 109.166 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.55 -8.67 66.47 Favored Glycine 0 C--N 1.351 1.368 0 CA-C-O 118.554 -1.136 . . . . 100.0 112.802 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -86.98 142.72 27.75 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 118.777 1.289 . . . . 100.0 108.849 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -61.39 -48.94 78.95 Favored 'General case' 0 N--CA 1.44 -0.965 0 N-CA-C 113.693 0.997 . . . . 100.0 113.693 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 68' ' ' PHE . 63.4 tp -134.08 128.86 35.07 Favored 'General case' 0 CA--C 1.49 -1.336 0 C-N-CA 118.484 -1.286 . . . . 100.0 109.346 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.453 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 94.8 mt -63.17 -40.83 98.68 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 126.296 1.839 . . . . 100.0 111.009 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.42 -22.56 66.96 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 126.08 1.752 . . . . 100.0 114.24 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.5 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 87.4 t80 -58.89 132.21 53.3 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 107.939 -1.134 . . . . 100.0 107.939 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -93.07 124.05 36.77 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-O 122.388 1.09 . . . . 100.0 111.997 -175.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HG3' ' HB3' ' A' ' 44' ' ' TRP . 12.6 pt-20 -153.77 -168.02 2.85 Favored 'General case' 0 N--CA 1.437 -1.082 0 C-N-CA 126.17 1.788 . . . . 100.0 107.259 178.05 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -60.27 -39.87 88.34 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 124.551 1.141 . . . . 100.0 111.28 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.707 ' HE1' ' HD3' ' A' ' 32' ' ' ARG 0.266 5.6 t90 -55.41 140.06 41.22 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 128.145 2.578 . . . . 100.0 109.37 176.381 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -82.0 121.27 78.91 Favored Pre-proline 0 C--N 1.361 1.082 0 N-CA-C 108.139 -1.06 . . . . 100.0 108.139 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -58.88 -36.87 96.23 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 124.36 3.373 . . . . 100.0 113.708 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 86.5 tt0 -76.08 128.8 35.74 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 106.201 -1.778 . . . . 100.0 106.201 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -101.82 128.54 48.14 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-O 122.049 0.928 . . . . 100.0 109.149 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.73 -47.33 85.74 Favored 'General case' 0 N--CA 1.437 -1.082 0 C-N-CA 125.423 1.489 . . . . 100.0 113.82 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.74 -41.47 87.77 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 113.602 0.964 . . . . 100.0 113.602 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.544 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 42.9 p -85.97 83.77 7.7 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 122.183 0.992 . . . . 100.0 110.048 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -90.97 106.91 18.85 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 107.55 -1.278 . . . . 100.0 107.55 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.85 -14.09 59.44 Favored Glycine 0 N--CA 1.432 -1.582 0 CA-C-N 113.747 -1.569 . . . . 100.0 113.237 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.544 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 83.2 mt-10 -70.16 -41.9 73.22 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 118.487 1.143 . . . . 100.0 111.689 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.25 -45.06 93.33 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.593 1.157 . . . . 100.0 110.131 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.6 t0 53.54 42.27 31.95 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 127.156 2.183 . . . . 100.0 111.971 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.2 t -102.33 -46.6 11.04 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 105.426 -2.064 . . . . 100.0 105.426 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.378 35.6 m-85 -65.41 -38.12 88.98 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 117.029 2.233 . . . . 100.0 117.029 -179.245 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -61.85 -49.06 87.53 Favored Pre-proline 0 C--N 1.357 0.927 0 CA-C-O 116.892 -1.528 . . . . 100.0 111.895 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.76 -24.08 18.54 Favored 'Trans proline' 0 C--N 1.38 2.223 0 CA-C-N 122.421 1.9 . . . . 100.0 112.156 177.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t70 53.38 45.91 27.39 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 127.534 2.333 . . . . 100.0 112.301 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.4 mt -110.37 123.95 50.8 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 105.53 -2.026 . . . . 100.0 105.53 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -115.18 119.7 37.27 Favored 'General case' 0 N--CA 1.434 -1.252 0 N-CA-C 102.97 -2.974 . . . . 100.0 102.97 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 59.3 mtm -114.97 118.34 33.18 Favored 'General case' 0 CA--C 1.492 -1.282 0 N-CA-C 107.778 -1.193 . . . . 100.0 107.778 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.443 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 66.6 mt-10 -63.53 -42.82 98.43 Favored 'General case' 0 CA--C 1.495 -1.141 0 CA-C-N 113.997 -1.456 . . . . 100.0 112.979 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.75 -43.79 97.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 C-N-CA 124.514 1.126 . . . . 100.0 110.12 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.07 -47.74 91.76 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 CA-C-O 118.404 -0.808 . . . . 100.0 110.741 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.514 ' HA ' HD23 ' A' ' 37' ' ' LEU 0.429 9.5 p90 -68.66 -38.57 80.52 Favored 'General case' 0 C--N 1.362 1.152 0 N-CA-C 115.081 1.511 . . . . 100.0 115.081 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 N--CA 1.439 -1.003 0 CA-C-O 122.717 1.246 . . . . 100.0 110.896 -178.992 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.335 0 N-CA-C 110.015 -1.234 . . . . 100.0 110.015 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.04 152.62 47.73 Favored 'General case' 0 CA--C 1.495 -1.166 0 CA-C-N 113.419 -1.391 . . . . 100.0 108.555 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.9 m -84.44 83.23 8.07 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 105.914 -1.884 . . . . 100.0 105.914 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.65 141.68 46.14 Favored 'General case' 0 N--CA 1.427 -1.596 0 N-CA-C 104.184 -2.524 . . . . 100.0 104.184 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.59 36.62 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.327 -0.851 . . . . 100.0 110.786 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.04 28.69 18.03 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 113.071 -1.877 . . . . 100.0 112.79 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.1 p 51.69 43.44 29.91 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.831 2.053 . . . . 100.0 113.02 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.9 m -73.32 138.6 45.51 Favored 'General case' 0 C--N 1.357 0.929 0 N-CA-C 107.834 -1.173 . . . . 100.0 107.834 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.0 130.26 36.28 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 106.967 -1.494 . . . . 100.0 106.967 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -62.63 -42.03 99.36 Favored 'General case' 0 CA--C 1.495 -1.17 0 N-CA-C 117.581 2.438 . . . . 100.0 117.581 -177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.405 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.24 157.21 38.52 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 122.406 1.098 . . . . 100.0 113.388 -177.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.73 87.24 6.33 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 113.931 -1.486 . . . . 100.0 109.279 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.431 HD11 ' HB2' ' A' ' 20' ' ' PHE . 2.2 pp -84.04 -11.05 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 N-CA-C 119.514 3.153 . . . . 100.0 119.514 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.05 147.35 52.34 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 119.824 1.193 . . . . 100.0 109.195 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.08 92.42 Favored 'General case' 0 CA--C 1.497 -1.094 0 C-N-CA 125.285 1.434 . . . . 100.0 113.142 -176.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -62.98 -42.37 99.82 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-O 117.235 -1.364 . . . . 100.0 112.887 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.8 p 164.06 -47.95 0.0 OUTLIER 'General case' 0 C--N 1.376 1.76 0 O-C-N 124.74 1.275 . . . . 100.0 113.211 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.515 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.74 -179.12 7.1 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 116.309 1.966 . . . . 100.0 116.309 -176.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 20' ' ' PHE . 83.1 m -72.41 164.83 25.7 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 119.778 -1.826 . . . . 100.0 109.296 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.431 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.4 t80 -60.06 -42.65 94.99 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.767 2.027 . . . . 100.0 108.047 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.24 -38.93 92.79 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.961 1.705 . . . . 100.0 110.377 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -90.98 12.14 20.63 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 126.554 1.942 . . . . 100.0 112.275 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.86 -41.51 89.03 Favored Pre-proline 0 N--CA 1.441 -0.911 0 CA-C-O 115.411 -2.233 . . . . 100.0 113.325 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.2 -33.82 98.2 Favored 'Trans proline' 0 C--N 1.38 2.192 0 CA-C-N 124.073 2.49 . . . . 100.0 112.437 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.05 -23.55 64.98 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.129 0.972 . . . . 100.0 112.563 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.515 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.4 m -61.07 -35.93 78.28 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 125.055 1.342 . . . . 100.0 110.37 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.4 m -60.81 -38.29 84.87 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 125.04 1.336 . . . . 100.0 110.581 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.56 139.06 56.91 Favored 'General case' 0 C--N 1.36 1.041 0 N-CA-C 106.755 -1.572 . . . . 100.0 106.755 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.46 11.25 31.39 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 114.6 1.333 . . . . 100.0 114.6 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -61.63 -39.25 90.63 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 123.267 0.627 . . . . 100.0 112.395 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -62.13 -42.36 99.17 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 123.638 0.775 . . . . 100.0 110.742 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -62.62 -39.62 94.38 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 124.157 0.983 . . . . 100.0 111.464 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -69.49 151.96 45.42 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.756 -0.831 . . . . 100.0 108.756 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.95 2.34 64.66 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-O 119.274 -0.736 . . . . 100.0 112.243 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -98.65 138.36 35.94 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 107.588 -1.264 . . . . 100.0 107.588 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.38 -47.5 85.81 Favored 'General case' 0 N--CA 1.435 -1.198 0 C-N-CA 124.982 1.313 . . . . 100.0 113.01 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -129.97 125.43 35.39 Favored 'General case' 0 CA--C 1.492 -1.252 0 CA-C-N 118.839 0.745 . . . . 100.0 110.514 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.1 -39.82 90.28 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 125.449 1.5 . . . . 100.0 110.163 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.73 -23.41 67.35 Favored 'General case' 0 CA--C 1.498 -1.044 0 C-N-CA 126.461 1.904 . . . . 100.0 114.278 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 73.4 t80 -62.44 134.46 56.45 Favored 'General case' 0 C--N 1.36 1.054 0 CA-C-O 121.774 0.797 . . . . 100.0 109.949 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -81.26 119.67 23.93 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 122.754 1.264 . . . . 100.0 110.966 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -144.96 179.88 7.06 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 128.328 2.651 . . . . 100.0 106.287 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -61.39 -42.33 98.55 Favored 'General case' 0 C--N 1.357 0.891 0 C-N-CA 123.965 0.906 . . . . 100.0 110.338 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -65.06 147.24 53.84 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.623 0.769 . . . . 100.0 111.545 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -74.01 125.02 90.54 Favored Pre-proline 0 C--N 1.355 0.806 0 CA-C-N 116.03 -0.532 . . . . 100.0 111.028 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -58.37 -37.11 96.47 Favored 'Trans proline' 0 C--N 1.372 1.786 0 C-N-CA 124.383 3.388 . . . . 100.0 114.801 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.477 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.7 tt0 -78.41 128.13 33.19 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 105.716 -1.957 . . . . 100.0 105.716 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.402 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 55.3 mt-10 -100.94 131.66 46.72 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-O 121.742 0.782 . . . . 100.0 110.321 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.79 -47.08 86.76 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 124.979 1.311 . . . . 100.0 113.66 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.21 -41.79 94.13 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 113.389 0.885 . . . . 100.0 113.389 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.504 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 60.7 p -84.95 82.39 8.47 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-O 121.814 0.816 . . . . 100.0 111.005 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -92.02 106.23 18.3 Favored 'General case' 0 N--CA 1.435 -1.18 0 N-CA-C 106.735 -1.58 . . . . 100.0 106.735 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.05 -13.64 60.9 Favored Glycine 0 N--CA 1.433 -1.513 0 CA-C-N 113.709 -1.587 . . . . 100.0 113.81 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.504 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 75.4 mt-10 -70.33 -41.05 73.76 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 118.4 1.1 . . . . 100.0 110.715 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -62.64 -45.78 91.27 Favored 'General case' 0 CA--C 1.493 -1.214 0 C-N-CA 124.735 1.214 . . . . 100.0 109.845 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.6 t0 53.66 42.43 31.85 Favored 'General case' 0 C--N 1.361 1.106 0 C-N-CA 126.334 1.854 . . . . 100.0 110.521 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.1 t -103.77 -51.5 8.63 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.879 0 N-CA-C 106.535 -1.654 . . . . 100.0 106.535 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.326 25.7 m-85 -64.76 -39.49 93.71 Favored 'General case' 0 CA--C 1.487 -1.45 0 N-CA-C 116.78 2.141 . . . . 100.0 116.78 -178.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -61.72 -48.61 89.26 Favored Pre-proline 0 C--N 1.357 0.932 0 CA-C-O 116.911 -1.519 . . . . 100.0 113.393 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -76.46 -18.27 15.82 Favored 'Trans proline' 0 C--N 1.377 2.072 0 CA-C-N 122.357 1.877 . . . . 100.0 113.28 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 53.76 44.22 29.92 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 126.302 1.841 . . . . 100.0 112.435 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 tp -110.65 120.93 44.03 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 106.132 -1.803 . . . . 100.0 106.132 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -119.66 125.05 47.76 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 105.366 -2.087 . . . . 100.0 105.366 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 61.1 mtm -116.35 114.63 24.57 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 106.625 -1.62 . . . . 100.0 106.625 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.481 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 77.4 mt-10 -64.66 -40.08 94.81 Favored 'General case' 0 CA--C 1.488 -1.439 0 CA-C-N 114.815 -1.084 . . . . 100.0 113.648 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.31 -43.77 97.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 C-N-CA 124.086 0.954 . . . . 100.0 109.723 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.07 -48.93 86.21 Favored 'Isoleucine or valine' 0 C--N 1.36 1.05 0 CA-C-O 117.918 -1.039 . . . . 100.0 111.005 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.481 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.382 18.1 p90 -69.22 -39.02 78.82 Favored 'General case' 0 C--N 1.361 1.085 0 N-CA-C 115.028 1.492 . . . . 100.0 115.028 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -81.53 79.94 8.01 Favored 'General case' 0 CA--C 1.495 -1.151 0 CA-C-O 123.185 1.469 . . . . 100.0 114.005 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.1 m -66.53 -40.3 89.07 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 113.042 -1.89 . . . . 100.0 106.345 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.26 1.632 0 C-N-CA 124.715 1.206 . . . . 100.0 108.133 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.422 0 N-CA-C 110.033 -1.227 . . . . 100.0 110.033 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -128.02 152.63 47.7 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 113.449 -1.375 . . . . 100.0 108.562 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.6 m -84.39 83.23 8.06 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 106.005 -1.85 . . . . 100.0 106.005 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.67 141.65 46.21 Favored 'General case' 0 N--CA 1.427 -1.618 0 N-CA-C 104.187 -2.523 . . . . 100.0 104.187 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.7 128.52 36.34 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 115.334 -0.848 . . . . 100.0 110.79 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.05 28.7 18.05 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 113.096 -1.865 . . . . 100.0 112.811 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.1 p 51.65 43.4 29.87 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.831 2.052 . . . . 100.0 113.049 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.25 138.61 45.64 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 107.786 -1.19 . . . . 100.0 107.786 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.2 36.18 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 106.964 -1.495 . . . . 100.0 106.964 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.61 -41.95 99.29 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 117.614 2.45 . . . . 100.0 117.614 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.34 157.21 38.48 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-O 122.367 1.08 . . . . 100.0 113.414 -177.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -81.76 87.33 6.34 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 113.98 -1.463 . . . . 100.0 109.173 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.424 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.08 -11.01 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 119.547 3.165 . . . . 100.0 119.547 -178.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.08 147.33 52.44 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 119.826 1.194 . . . . 100.0 109.216 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.03 92.1 Favored 'General case' 0 CA--C 1.497 -1.094 0 C-N-CA 125.286 1.434 . . . . 100.0 113.185 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.6 m80 -63.13 -42.23 99.45 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-O 117.246 -1.359 . . . . 100.0 112.885 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.4 p 164.06 -48.04 0.0 OUTLIER 'General case' 0 C--N 1.377 1.767 0 O-C-N 124.68 1.237 . . . . 100.0 113.191 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.522 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.65 -179.17 7.09 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 116.3 1.963 . . . . 100.0 116.3 -176.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 20' ' ' PHE . 84.0 m -72.42 164.84 25.7 Favored 'General case' 0 C--N 1.36 1.045 0 O-C-N 119.813 -1.804 . . . . 100.0 109.273 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.11 -42.62 95.13 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 126.814 2.046 . . . . 100.0 108.042 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' H ' HG22 ' A' ' 19' ' ' THR . 87.0 tt0 -64.23 -38.9 92.7 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 125.891 1.676 . . . . 100.0 110.42 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -91.05 12.2 20.59 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 126.492 1.917 . . . . 100.0 112.268 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.57 89.37 Favored Pre-proline 0 N--CA 1.44 -0.935 0 CA-C-O 115.447 -2.216 . . . . 100.0 113.344 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.21 -33.77 98.17 Favored 'Trans proline' 0 C--N 1.379 2.181 0 CA-C-N 124.039 2.478 . . . . 100.0 112.451 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.05 -23.62 64.99 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 124.147 0.979 . . . . 100.0 112.547 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 92.9 m -61.0 -35.93 78.15 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 125.059 1.344 . . . . 100.0 110.403 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.78 -38.39 85.16 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.047 1.339 . . . . 100.0 110.554 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.44 139.08 57.07 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 106.746 -1.576 . . . . 100.0 106.746 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.5 17.08 13.77 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 114.617 1.34 . . . . 100.0 114.617 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.9 -44.92 93.98 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 125.058 1.343 . . . . 100.0 111.271 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -63.49 -40.59 97.5 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 123.665 0.786 . . . . 100.0 112.812 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -65.01 -40.16 94.49 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 124.113 0.965 . . . . 100.0 111.308 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -67.97 151.26 47.38 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.085 0.954 . . . . 100.0 110.671 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.36 -1.65 69.92 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-O 119.005 -0.886 . . . . 100.0 112.339 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -95.47 142.19 28.13 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 118.084 0.942 . . . . 100.0 110.079 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -60.01 -48.01 83.48 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 125.202 1.401 . . . . 100.0 113.895 -176.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.7 mt -129.58 124.15 33.09 Favored 'General case' 0 CA--C 1.489 -1.368 0 CA-C-N 119.122 0.874 . . . . 100.0 111.317 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.78 -39.05 84.13 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 124.625 1.17 . . . . 100.0 110.432 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.82 -24.4 67.74 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 125.974 1.709 . . . . 100.0 113.297 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.414 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 63.1 t80 -61.4 134.65 57.15 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 123.891 0.876 . . . . 100.0 110.493 -178.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -78.48 123.56 27.18 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-O 123.126 1.441 . . . . 100.0 112.184 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -146.64 176.63 9.69 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 129.35 3.06 . . . . 100.0 106.941 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -61.39 -40.7 95.3 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.791 0.836 . . . . 100.0 110.536 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.6 p90 -69.46 156.81 38.26 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.369 0.604 . . . . 100.0 112.227 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -75.09 124.49 89.42 Favored Pre-proline 0 N--CA 1.439 -1.005 0 CA-C-N 114.697 -1.138 . . . . 100.0 110.158 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.33 -34.8 93.2 Favored 'Trans proline' 0 C--N 1.371 1.727 0 C-N-CA 124.568 3.512 . . . . 100.0 112.709 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.477 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.6 tt0 -76.77 128.45 34.66 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 106.022 -1.844 . . . . 100.0 106.022 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.457 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 61.7 mt-10 -100.01 129.5 46.07 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-O 121.891 0.853 . . . . 100.0 109.977 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.4 mt -62.85 -45.94 90.22 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 125.187 1.395 . . . . 100.0 112.871 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.35 -42.74 96.07 Favored 'General case' 0 CA--C 1.496 -1.101 0 C-N-CA 123.965 0.906 . . . . 100.0 113.256 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.616 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 24.2 p -86.63 84.94 7.29 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-O 121.909 0.861 . . . . 100.0 110.189 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -91.83 105.95 18.1 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 105.973 -1.862 . . . . 100.0 105.973 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.73 -12.62 62.99 Favored Glycine 0 N--CA 1.435 -1.388 0 CA-C-N 113.859 -1.519 . . . . 100.0 113.902 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.616 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 38.6 mt-10 -70.23 -42.43 72.28 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 118.552 1.176 . . . . 100.0 111.174 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.28 -44.85 93.91 Favored 'General case' 0 CA--C 1.497 -1.066 0 C-N-CA 124.388 1.075 . . . . 100.0 110.023 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.4 t0 54.04 41.07 32.17 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 127.249 2.22 . . . . 100.0 111.275 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.5 t -101.83 -47.61 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 N-CA-C 105.37 -2.085 . . . . 100.0 105.37 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.369 26.1 m-85 -64.39 -38.32 90.63 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 116.771 2.138 . . . . 100.0 116.771 -178.759 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.461 ' HB2' ' HD3' ' A' ' 60' ' ' PRO . 64.5 m-20 -61.91 -48.34 89.18 Favored Pre-proline 0 C--N 1.359 1.016 0 CA-C-O 116.906 -1.521 . . . . 100.0 110.895 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.461 ' HD3' ' HB2' ' A' ' 59' ' ' ASP . 33.6 Cg_exo -70.3 -26.19 25.3 Favored 'Trans proline' 0 C--N 1.383 2.346 0 C-N-CA 122.259 1.972 . . . . 100.0 112.023 177.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.7 t70 55.73 42.42 29.27 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 127.367 2.267 . . . . 100.0 111.709 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.4 mt -115.14 128.07 55.97 Favored 'General case' 0 CA--C 1.491 -1.317 0 N-CA-C 107.095 -1.446 . . . . 100.0 107.095 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -109.74 121.85 46.16 Favored 'General case' 0 CA--C 1.492 -1.265 0 N-CA-C 104.608 -2.367 . . . . 100.0 104.608 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 89.7 mtp -109.28 109.45 20.37 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 105.761 -1.94 . . . . 100.0 105.761 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.504 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 51.5 mt-10 -64.09 -40.93 97.3 Favored 'General case' 0 CA--C 1.491 -1.291 0 CA-C-N 114.34 -1.3 . . . . 100.0 113.494 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.42 -44.26 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 C-N-CA 124.577 1.151 . . . . 100.0 109.968 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.7 t -62.4 -49.39 84.12 Favored 'Isoleucine or valine' 0 C--N 1.361 1.086 0 CA-C-O 118.13 -0.938 . . . . 100.0 110.88 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.444 26.5 p90 -68.74 -38.52 80.22 Favored 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 116.545 2.054 . . . . 100.0 116.545 -179.404 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -82.8 81.41 8.54 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-O 122.528 1.156 . . . . 100.0 111.648 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.7 m -65.21 -41.65 94.26 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.567 1.547 . . . . 100.0 107.793 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.5 ' H ' ' CD ' ' A' ' 71' ' ' GLN . 3.0 pm0 . . . . . 0 C--O 1.26 1.617 0 N-CA-C 108.622 -0.881 . . . . 100.0 108.622 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.388 0 N-CA-C 110.052 -1.219 . . . . 100.0 110.052 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.05 152.63 47.72 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 113.419 -1.39 . . . . 100.0 108.554 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.9 m -84.4 83.21 8.07 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 106.004 -1.85 . . . . 100.0 106.004 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.66 141.72 46.11 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 104.123 -2.547 . . . . 100.0 104.123 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.86 128.55 36.41 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 115.267 -0.879 . . . . 100.0 110.701 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.05 28.76 18.13 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 113.001 -1.909 . . . . 100.0 112.78 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.5 p 51.63 43.4 29.85 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 126.84 2.056 . . . . 100.0 113.063 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -73.25 138.59 45.64 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 107.851 -1.166 . . . . 100.0 107.851 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.23 36.23 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 106.976 -1.49 . . . . 100.0 106.976 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.62 -42.0 99.33 Favored 'General case' 0 N--CA 1.437 -1.117 0 N-CA-C 117.594 2.442 . . . . 100.0 117.594 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.419 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.28 157.24 38.45 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-O 122.408 1.099 . . . . 100.0 113.431 -177.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -81.72 87.24 6.33 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 113.972 -1.467 . . . . 100.0 109.243 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.419 HG23 ' HG2' ' A' ' 11' ' ' GLN . 2.2 pp -84.02 -10.99 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 N-CA-C 119.541 3.163 . . . . 100.0 119.541 -178.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.17 147.34 52.52 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 119.824 1.193 . . . . 100.0 109.199 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.74 -42.09 92.39 Favored 'General case' 0 CA--C 1.497 -1.089 0 C-N-CA 125.279 1.432 . . . . 100.0 113.13 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.5 m80 -63.01 -42.27 99.79 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 117.258 -1.353 . . . . 100.0 112.914 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.02 -47.98 0.0 OUTLIER 'General case' 0 C--N 1.376 1.759 0 O-C-N 124.655 1.222 . . . . 100.0 113.227 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.523 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.71 -179.11 7.09 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 116.347 1.98 . . . . 100.0 116.347 -176.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 20' ' ' PHE . 86.0 m -72.51 164.87 25.72 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 119.833 -1.792 . . . . 100.0 109.282 -178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.423 ' N ' HG22 ' A' ' 19' ' ' THR . 84.5 t80 -60.1 -42.66 95.15 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 126.776 2.03 . . . . 100.0 108.028 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' H ' HG22 ' A' ' 19' ' ' THR . 87.0 tt0 -64.15 -38.96 92.95 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 125.936 1.695 . . . . 100.0 110.428 178.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -90.97 12.08 20.79 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 126.559 1.944 . . . . 100.0 112.283 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.51 89.04 Favored Pre-proline 0 N--CA 1.44 -0.939 0 CA-C-O 115.408 -2.234 . . . . 100.0 113.331 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.21 -33.77 98.16 Favored 'Trans proline' 0 C--N 1.38 2.186 0 CA-C-N 124.071 2.49 . . . . 100.0 112.452 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.06 -23.59 64.98 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 124.137 0.975 . . . . 100.0 112.552 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.2 m -61.06 -35.91 78.2 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 125.069 1.348 . . . . 100.0 110.398 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.4 m -60.76 -38.4 85.12 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 125.068 1.347 . . . . 100.0 110.607 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.43 139.05 57.08 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 106.779 -1.563 . . . . 100.0 106.779 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.5 15.13 18.66 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 114.566 1.321 . . . . 100.0 114.566 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -59.52 -44.29 93.19 Favored 'General case' 0 CA--C 1.5 -0.97 0 C-N-CA 123.052 0.541 . . . . 100.0 111.891 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -64.25 -41.08 97.12 Favored 'General case' 0 N--CA 1.433 -1.287 0 C-N-CA 123.891 0.876 . . . . 100.0 112.169 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -64.07 -40.67 96.76 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.925 0.89 . . . . 100.0 112.207 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -68.29 150.82 47.78 Favored 'General case' 0 CA--C 1.5 -0.943 0 C-N-CA 124.441 1.096 . . . . 100.0 111.156 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.47 4.21 70.91 Favored Glycine 0 C--N 1.354 1.541 0 CA-C-O 118.907 -0.94 . . . . 100.0 113.468 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -98.25 151.26 20.65 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-N 118.577 1.189 . . . . 100.0 110.56 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -59.0 -50.17 75.12 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 115.687 1.736 . . . . 100.0 115.687 -175.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 68' ' ' PHE . 65.6 tp -140.48 127.96 21.4 Favored 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 118.047 -1.461 . . . . 100.0 108.602 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.23 -39.43 92.73 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 125.116 1.366 . . . . 100.0 111.693 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.96 -23.75 67.56 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.579 1.552 . . . . 100.0 113.145 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.497 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 85.9 t80 -60.99 132.13 52.87 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-O 121.536 0.684 . . . . 100.0 109.814 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -83.27 121.21 26.82 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 114.702 -1.136 . . . . 100.0 110.843 -176.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . 0.31 14.9 pt-20 -152.86 -166.97 2.6 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 126.049 1.739 . . . . 100.0 109.114 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -58.8 -46.21 88.11 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 114.096 1.147 . . . . 100.0 114.096 -176.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -73.45 159.51 33.12 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 112.404 0.52 . . . . 100.0 112.404 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -78.37 127.32 81.28 Favored Pre-proline 0 N--CA 1.438 -1.044 0 CA-C-N 115.581 -0.736 . . . . 100.0 109.401 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -59.46 -34.17 97.24 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 124.336 3.357 . . . . 100.0 113.775 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 88.7 tt0 -74.46 128.09 34.69 Favored 'General case' 0 CA--C 1.497 -1.06 0 N-CA-C 107.022 -1.473 . . . . 100.0 107.022 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -102.53 130.78 49.47 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 122.061 0.934 . . . . 100.0 109.571 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.48 -45.78 91.47 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 113.989 -1.459 . . . . 100.0 112.201 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.34 -42.34 96.3 Favored 'General case' 0 CA--C 1.499 -1.003 0 C-N-CA 123.816 0.846 . . . . 100.0 113.193 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.586 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 69.9 p -85.45 86.48 7.37 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-O 121.97 0.891 . . . . 100.0 110.501 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -91.49 105.25 17.62 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 106.849 -1.537 . . . . 100.0 106.849 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.65 -10.94 63.05 Favored Glycine 0 N--CA 1.434 -1.498 0 CA-C-N 113.745 -1.57 . . . . 100.0 113.586 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.586 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 20.5 mm-40 -68.48 -43.32 77.21 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 118.651 1.225 . . . . 100.0 110.375 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -63.99 -46.14 85.92 Favored 'General case' 0 CA--C 1.499 -1.016 0 C-N-CA 124.01 0.924 . . . . 100.0 110.385 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.2 t70 52.92 41.85 32.03 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 127.246 2.218 . . . . 100.0 110.861 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.1 t -103.85 -48.01 10.17 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 N-CA-C 105.843 -1.91 . . . . 100.0 105.843 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.437 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.374 42.7 m-85 -65.02 -38.01 89.52 Favored 'General case' 0 CA--C 1.489 -1.374 0 N-CA-C 116.928 2.195 . . . . 100.0 116.928 -178.768 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -61.32 -48.68 90.6 Favored Pre-proline 0 C--N 1.358 0.977 0 CA-C-O 116.888 -1.529 . . . . 100.0 111.473 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -77.45 -18.31 13.96 Favored 'Trans proline' 0 C--N 1.378 2.082 0 CA-C-N 122.451 1.911 . . . . 100.0 113.376 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.7 t70 53.35 45.58 28.13 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 126.732 2.013 . . . . 100.0 112.302 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.5 tp -112.95 124.95 53.79 Favored 'General case' 0 N--CA 1.432 -1.328 0 N-CA-C 105.755 -1.943 . . . . 100.0 105.755 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -113.16 124.1 51.76 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 104.263 -2.495 . . . . 100.0 104.263 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.6 mtm -114.92 115.36 26.79 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 106.417 -1.698 . . . . 100.0 106.417 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.478 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 51.0 mt-10 -64.04 -42.38 97.09 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-N 113.966 -1.47 . . . . 100.0 112.314 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.3 t -61.66 -43.88 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.825 0 C-N-CA 125.094 1.357 . . . . 100.0 110.432 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.58 -48.23 89.2 Favored 'Isoleucine or valine' 0 C--N 1.36 1.049 0 CA-C-O 118.593 -0.718 . . . . 100.0 111.069 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.497 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.444 21.5 p90 -69.72 -39.26 76.96 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 116.003 1.853 . . . . 100.0 116.003 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -84.77 73.04 10.67 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 122.312 1.053 . . . . 100.0 110.939 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.0 m -66.65 -40.29 88.6 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 125.768 1.627 . . . . 100.0 108.084 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.262 1.751 0 N-CA-C 106.83 -1.544 . . . . 100.0 106.83 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.38 0 N-CA-C 110.009 -1.237 . . . . 100.0 110.009 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.04 152.62 47.73 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 113.46 -1.37 . . . . 100.0 108.558 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.5 m -84.38 83.22 8.07 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 105.994 -1.854 . . . . 100.0 105.994 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.68 141.69 46.16 Favored 'General case' 0 N--CA 1.427 -1.621 0 N-CA-C 104.133 -2.543 . . . . 100.0 104.133 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.55 36.42 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.281 -0.872 . . . . 100.0 110.73 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.14 28.66 18.02 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 113.038 -1.892 . . . . 100.0 112.731 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.8 p 51.73 43.37 30.01 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 126.8 2.04 . . . . 100.0 113.056 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -73.21 138.58 45.7 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 107.83 -1.174 . . . . 100.0 107.83 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -77.98 130.18 36.2 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 107.009 -1.478 . . . . 100.0 107.009 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.63 -42.05 99.37 Favored 'General case' 0 CA--C 1.494 -1.177 0 N-CA-C 117.586 2.439 . . . . 100.0 117.586 -177.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.41 ' HG2' HG23 ' A' ' 13' ' ' ILE 0.25 15.5 pm0 -71.19 157.23 38.51 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 122.382 1.087 . . . . 100.0 113.435 -177.768 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -81.79 87.32 6.35 Favored 'General case' 0 N--CA 1.431 -1.403 0 CA-C-N 113.935 -1.484 . . . . 100.0 109.177 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.06 -11.01 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 N-CA-C 119.548 3.166 . . . . 100.0 119.548 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.6 t -64.14 147.36 52.43 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 119.768 1.167 . . . . 100.0 109.178 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.12 92.28 Favored 'General case' 0 CA--C 1.497 -1.079 0 C-N-CA 125.324 1.45 . . . . 100.0 113.119 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.482 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.8 m80 -62.99 -42.31 99.81 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-O 117.253 -1.356 . . . . 100.0 112.918 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 p 164.05 -47.99 0.0 OUTLIER 'General case' 0 C--N 1.377 1.785 0 O-C-N 124.765 1.291 . . . . 100.0 113.215 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.517 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.68 -179.13 7.09 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 116.35 1.981 . . . . 100.0 116.35 -176.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 20' ' ' PHE . 84.8 m -72.48 164.87 25.69 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 119.841 -1.787 . . . . 100.0 109.258 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.42 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.12 -42.69 95.29 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 126.81 2.044 . . . . 100.0 107.994 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.17 -38.91 92.74 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.955 1.702 . . . . 100.0 110.431 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -91.01 12.12 20.77 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 126.562 1.945 . . . . 100.0 112.276 -178.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.86 -41.58 89.41 Favored Pre-proline 0 N--CA 1.441 -0.89 0 CA-C-O 115.392 -2.242 . . . . 100.0 113.283 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.15 -33.78 98.36 Favored 'Trans proline' 0 C--N 1.379 2.174 0 CA-C-N 124.094 2.498 . . . . 100.0 112.442 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.15 -23.51 64.88 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.101 0.96 . . . . 100.0 112.512 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.0 m -61.05 -35.87 78.08 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 125.028 1.331 . . . . 100.0 110.459 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.81 -38.34 85.07 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.028 1.331 . . . . 100.0 110.557 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.5 139.05 56.99 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 106.758 -1.571 . . . . 100.0 106.758 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.402 HD21 ' H ' ' A' ' 49' ' ' LEU . 8.1 mp -94.43 15.13 18.5 Favored 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 114.601 1.334 . . . . 100.0 114.601 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.43 -43.22 96.99 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 125.897 1.679 . . . . 100.0 110.74 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -63.84 -38.77 92.34 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 125.919 1.688 . . . . 100.0 110.131 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.844 ' HA ' ' HE1' ' A' ' 44' ' ' TRP . 70.6 mtt180 -61.82 -41.48 97.84 Favored 'General case' 0 CA--C 1.494 -1.2 0 C-N-CA 124.166 0.987 . . . . 100.0 111.803 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -65.93 147.57 53.16 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.39 -0.967 . . . . 100.0 108.39 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.1 -6.92 64.19 Favored Glycine 0 C--N 1.348 1.237 0 CA-C-O 118.538 -1.146 . . . . 100.0 113.23 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -88.24 138.06 31.78 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 118.802 1.301 . . . . 100.0 108.774 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -61.02 -48.62 80.94 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 124.615 1.166 . . . . 100.0 113.502 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -129.83 125.36 35.51 Favored 'General case' 0 CA--C 1.481 -1.694 0 CA-C-N 118.576 0.625 . . . . 100.0 110.466 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.6 mt -66.6 -39.38 88.34 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 124.435 1.094 . . . . 100.0 109.546 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.77 -23.11 67.05 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 126.507 1.923 . . . . 100.0 114.35 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.401 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 87.2 t80 -61.06 129.42 41.27 Favored 'General case' 0 C--N 1.366 1.304 0 N-CA-C 108.337 -0.986 . . . . 100.0 108.337 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -86.13 126.03 33.92 Favored 'General case' 0 CA--C 1.488 -1.415 0 N-CA-C 114.611 1.337 . . . . 100.0 114.611 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.582 ' HG3' ' HB3' ' A' ' 44' ' ' TRP . 10.9 pt-20 -157.75 -172.92 4.14 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 126.337 1.855 . . . . 100.0 108.568 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.84 -40.48 92.98 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 124.247 1.019 . . . . 100.0 111.657 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.844 ' HE1' ' HA ' ' A' ' 32' ' ' ARG 0.34 74.5 t90 -57.58 137.52 56.26 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 130.46 3.504 . . . . 100.0 106.303 178.519 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -79.56 121.06 82.19 Favored Pre-proline 0 C--N 1.359 0.988 0 N-CA-C 112.213 0.449 . . . . 100.0 112.213 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -60.03 -37.01 87.59 Favored 'Trans proline' 0 C--N 1.372 1.804 0 C-N-CA 124.663 3.575 . . . . 100.0 114.843 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -78.51 128.4 33.51 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 106.522 -1.658 . . . . 100.0 106.522 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' HA ' HH11 ' A' ' 32' ' ' ARG . 57.0 mt-10 -100.2 131.15 46.31 Favored 'General case' 0 N--CA 1.432 -1.344 0 O-C-N 124.275 0.984 . . . . 100.0 110.22 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.402 ' H ' HD21 ' A' ' 29' ' ' LEU . 73.3 mt -62.86 -44.87 94.98 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 125.098 1.359 . . . . 100.0 112.417 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.38 -44.11 95.68 Favored 'General case' 0 CA--C 1.501 -0.938 0 C-N-CA 124.108 0.963 . . . . 100.0 112.99 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.582 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 26.4 p -87.21 83.21 7.44 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 121.967 0.889 . . . . 100.0 109.102 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -88.74 102.99 15.55 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 108.094 -1.076 . . . . 100.0 108.094 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.08 -11.06 63.72 Favored Glycine 0 N--CA 1.436 -1.36 0 CA-C-N 114.53 -1.213 . . . . 100.0 113.253 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.582 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 63.0 mm-40 -69.83 -41.49 74.89 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 118.47 1.135 . . . . 100.0 110.597 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -62.39 -46.86 86.69 Favored 'General case' 0 CA--C 1.498 -1.036 0 C-N-CA 124.494 1.118 . . . . 100.0 109.413 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.6 t0 52.5 40.24 29.37 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 127.945 2.498 . . . . 100.0 110.743 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -103.88 -47.75 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.908 0 N-CA-C 105.82 -1.918 . . . . 100.0 105.82 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.352 45.6 m-85 -64.45 -38.7 91.93 Favored 'General case' 0 CA--C 1.487 -1.473 0 N-CA-C 116.849 2.166 . . . . 100.0 116.849 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.453 ' HB2' ' HD3' ' A' ' 60' ' ' PRO . 60.2 m-20 -62.0 -48.0 89.61 Favored Pre-proline 0 C--N 1.358 0.943 0 CA-C-O 117.219 -1.372 . . . . 100.0 110.795 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 59' ' ' ASP . 33.1 Cg_exo -71.01 -25.81 22.43 Favored 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 122.12 1.88 . . . . 100.0 113.173 177.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t70 54.66 43.44 30.17 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 127.163 2.185 . . . . 100.0 111.268 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.7 tp -111.87 127.26 55.78 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 106.091 -1.818 . . . . 100.0 106.091 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -110.53 129.2 55.85 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 107.275 -1.38 . . . . 100.0 107.275 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 94.2 mmm -111.62 105.01 13.43 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 103.314 -2.847 . . . . 100.0 103.314 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.471 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 51.3 mt-10 -63.12 -42.95 99.64 Favored 'General case' 0 CA--C 1.492 -1.276 0 N-CA-C 114.767 1.395 . . . . 100.0 114.767 -178.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.6 t -62.24 -42.95 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 C-N-CA 124.516 1.127 . . . . 100.0 109.684 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.1 t -62.26 -49.16 85.1 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 CA-C-O 118.042 -0.98 . . . . 100.0 110.858 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.379 10.2 p90 -69.15 -38.35 78.74 Favored 'General case' 0 C--N 1.362 1.111 0 N-CA-C 115.13 1.529 . . . . 100.0 115.13 -179.483 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -81.8 83.58 7.12 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-O 122.998 1.38 . . . . 100.0 112.31 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.7 m -65.95 -39.97 90.92 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 113.278 -1.783 . . . . 100.0 107.092 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.261 1.675 0 N-CA-C 107.414 -1.328 . . . . 100.0 107.414 179.28 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.339 0 N-CA-C 109.992 -1.243 . . . . 100.0 109.992 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.07 152.6 47.78 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 113.43 -1.385 . . . . 100.0 108.582 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 83.3 m -84.44 83.31 8.04 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 105.956 -1.868 . . . . 100.0 105.956 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.75 141.72 46.22 Favored 'General case' 0 N--CA 1.427 -1.619 0 N-CA-C 104.12 -2.548 . . . . 100.0 104.12 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.57 36.54 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 115.301 -0.863 . . . . 100.0 110.741 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.05 28.73 18.09 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 113.033 -1.894 . . . . 100.0 112.771 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.2 p 51.65 43.41 29.87 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 126.797 2.039 . . . . 100.0 113.063 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.27 138.6 45.6 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 107.808 -1.182 . . . . 100.0 107.808 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.01 130.14 36.13 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 106.971 -1.492 . . . . 100.0 106.971 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.58 -42.02 99.3 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 117.624 2.453 . . . . 100.0 117.624 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.412 ' HG2' HG23 ' A' ' 13' ' ' ILE 0.25 15.5 pm0 -71.15 157.21 38.55 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-O 122.378 1.085 . . . . 100.0 113.43 -177.807 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.75 87.19 6.34 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 113.974 -1.466 . . . . 100.0 109.255 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.06 -10.93 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 119.56 3.17 . . . . 100.0 119.56 -178.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.1 147.35 52.41 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-N 119.816 1.189 . . . . 100.0 109.198 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.06 92.16 Favored 'General case' 0 CA--C 1.497 -1.085 0 C-N-CA 125.261 1.424 . . . . 100.0 113.167 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.6 m80 -63.08 -42.23 99.59 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 117.254 -1.355 . . . . 100.0 112.93 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.05 -48.02 0.0 OUTLIER 'General case' 0 C--N 1.376 1.76 0 O-C-N 124.713 1.258 . . . . 100.0 113.192 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.515 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.5 mtt -80.67 -179.18 7.11 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 116.314 1.968 . . . . 100.0 116.314 -176.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 20' ' ' PHE . 83.1 m -72.39 164.84 25.68 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 119.747 -1.845 . . . . 100.0 109.296 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.13 -42.63 95.2 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 126.834 2.053 . . . . 100.0 108.018 178.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.22 -38.92 92.78 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.896 1.678 . . . . 100.0 110.385 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -91.0 12.14 20.65 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 126.56 1.944 . . . . 100.0 112.253 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.82 -41.64 89.79 Favored Pre-proline 0 N--CA 1.441 -0.91 0 CA-C-O 115.424 -2.227 . . . . 100.0 113.26 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -59.17 -33.79 98.31 Favored 'Trans proline' 0 C--N 1.38 2.193 0 CA-C-N 124.056 2.484 . . . . 100.0 112.457 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.06 -23.53 64.97 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 124.119 0.968 . . . . 100.0 112.582 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.515 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.5 m -61.07 -35.88 78.13 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 125.058 1.343 . . . . 100.0 110.374 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.86 -38.38 85.36 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.097 1.359 . . . . 100.0 110.551 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.43 139.07 57.09 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 106.807 -1.553 . . . . 100.0 106.807 177.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.47 14.82 19.5 Favored 'General case' 0 N--CA 1.434 -1.275 0 N-CA-C 114.577 1.325 . . . . 100.0 114.577 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.58 -42.1 95.99 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 125.78 1.632 . . . . 100.0 110.939 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -62.04 -43.56 98.57 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 125.357 1.463 . . . . 100.0 110.999 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -63.6 -39.94 95.67 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 124.351 1.061 . . . . 100.0 111.608 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -66.03 149.04 50.87 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 124.183 0.993 . . . . 100.0 109.868 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.34 4.4 66.33 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 119.035 -0.869 . . . . 100.0 113.493 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -99.38 144.48 28.44 Favored 'General case' 0 CA--C 1.493 -1.234 0 CA-C-N 118.139 0.97 . . . . 100.0 110.367 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -59.87 -49.23 78.51 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 125.353 1.461 . . . . 100.0 114.042 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.0 mt -131.91 121.91 24.78 Favored 'General case' 0 CA--C 1.485 -1.552 0 CA-C-N 118.785 0.72 . . . . 100.0 110.441 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.96 -37.64 81.81 Favored 'General case' 0 CA--C 1.499 -1.018 0 C-N-CA 124.217 1.007 . . . . 100.0 110.59 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.59 -24.7 67.7 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 126.498 1.919 . . . . 100.0 112.667 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.525 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 75.3 t80 -61.85 134.1 56.29 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 123.298 0.639 . . . . 100.0 110.45 -178.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -78.83 121.7 25.14 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-O 122.577 1.18 . . . . 100.0 110.742 -177.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -149.46 -177.94 6.14 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 126.849 2.06 . . . . 100.0 107.923 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -61.67 -42.51 99.02 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 124.587 1.155 . . . . 100.0 110.571 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.9 p90 -68.37 154.18 42.3 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-O 121.011 0.434 . . . . 100.0 110.622 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -78.22 124.85 85.73 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-N 115.88 -0.6 . . . . 100.0 109.856 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -59.5 -35.0 96.99 Favored 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 124.646 3.564 . . . . 100.0 114.113 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -75.37 128.56 35.64 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 107.219 -1.401 . . . . 100.0 107.219 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -104.01 129.96 51.65 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 123.669 0.606 . . . . 100.0 110.442 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.2 mt -63.58 -44.23 94.66 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 124.359 1.064 . . . . 100.0 112.439 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.57 -45.01 94.9 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 123.752 0.821 . . . . 100.0 113.208 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.467 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 52.6 p -88.41 84.43 6.82 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 121.757 0.789 . . . . 100.0 109.33 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -93.44 107.95 19.71 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 106.974 -1.491 . . . . 100.0 106.974 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.97 -12.21 62.64 Favored Glycine 0 N--CA 1.432 -1.575 0 CA-C-N 113.576 -1.647 . . . . 100.0 112.717 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.467 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 81.3 mt-10 -71.41 -42.19 68.64 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 118.987 1.393 . . . . 100.0 111.802 178.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -65.11 -41.82 94.57 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-O 118.923 -0.561 . . . . 100.0 112.354 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . 0.281 71.3 m-20 52.71 42.85 31.8 Favored 'General case' 0 C--N 1.364 1.234 0 N-CA-C 114.229 1.196 . . . . 100.0 114.229 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.4 t -104.92 -50.36 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 105.285 -2.117 . . . . 100.0 105.285 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.313 42.7 m-85 -65.72 -38.92 90.49 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.42 2.008 . . . . 100.0 116.42 -178.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -62.24 -47.94 88.75 Favored Pre-proline 0 C--N 1.358 0.952 0 CA-C-O 117.156 -1.402 . . . . 100.0 112.816 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -76.55 -15.4 17.45 Favored 'Trans proline' 0 C--N 1.377 2.056 0 CA-C-N 121.92 1.722 . . . . 100.0 114.318 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 54.38 44.5 28.82 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 124.94 1.296 . . . . 100.0 113.552 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.31 125.24 49.84 Favored 'General case' 0 CA--C 1.494 -1.198 0 N-CA-C 106.999 -1.482 . . . . 100.0 106.999 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -113.34 117.56 32.13 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 103.121 -2.918 . . . . 100.0 103.121 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.4 mtm -120.14 108.91 14.81 Favored 'General case' 0 N--CA 1.432 -1.352 0 N-CA-C 106.094 -1.817 . . . . 100.0 106.094 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.486 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 50.2 mt-10 -64.09 -41.13 97.4 Favored 'General case' 0 CA--C 1.493 -1.235 0 CA-C-N 114.383 -1.28 . . . . 100.0 112.866 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.51 -44.12 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 C-N-CA 124.591 1.156 . . . . 100.0 110.14 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.18 -48.72 87.12 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 CA-C-O 118.383 -0.818 . . . . 100.0 111.163 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.525 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.388 15.7 p90 -69.51 -38.7 77.71 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 115.142 1.534 . . . . 100.0 115.142 -179.584 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -81.22 84.43 6.58 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-O 122.896 1.331 . . . . 100.0 113.206 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.7 m -65.81 -40.64 92.07 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 113.467 -1.697 . . . . 100.0 107.382 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 C--O 1.261 1.673 0 N-CA-C 107.727 -1.212 . . . . 100.0 107.727 179.588 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.362 0 N-CA-C 110.06 -1.216 . . . . 100.0 110.06 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -128.04 152.58 47.78 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 113.429 -1.386 . . . . 100.0 108.546 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.3 m -84.4 83.28 8.05 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 105.952 -1.87 . . . . 100.0 105.952 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.73 141.67 46.25 Favored 'General case' 0 N--CA 1.427 -1.593 0 N-CA-C 104.154 -2.536 . . . . 100.0 104.154 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.57 36.51 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 115.321 -0.854 . . . . 100.0 110.749 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.09 28.66 18.0 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 113.076 -1.875 . . . . 100.0 112.777 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.9 p 51.71 43.39 29.96 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.846 2.058 . . . . 100.0 113.048 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.28 138.57 45.57 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 107.837 -1.171 . . . . 100.0 107.837 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.03 130.21 36.2 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 107.0 -1.482 . . . . 100.0 107.0 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -62.56 -42.06 99.3 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 117.618 2.451 . . . . 100.0 117.618 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.413 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.28 157.27 38.41 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-O 122.399 1.095 . . . . 100.0 113.403 -177.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -81.78 87.25 6.35 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 113.916 -1.493 . . . . 100.0 109.198 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.429 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.07 -10.95 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 N-CA-C 119.5 3.148 . . . . 100.0 119.5 -178.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.06 147.34 52.38 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 119.872 1.214 . . . . 100.0 109.22 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.07 92.46 Favored 'General case' 0 CA--C 1.497 -1.095 0 C-N-CA 125.24 1.416 . . . . 100.0 113.145 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.489 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -63.01 -42.28 99.77 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 117.291 -1.337 . . . . 100.0 112.914 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 p 164.05 -48.06 0.0 OUTLIER 'General case' 0 C--N 1.377 1.782 0 O-C-N 124.691 1.244 . . . . 100.0 113.215 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.518 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.65 -179.15 7.09 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 116.357 1.984 . . . . 100.0 116.357 -176.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 20' ' ' PHE . 84.5 m -72.5 164.83 25.77 Favored 'General case' 0 C--N 1.36 1.023 0 O-C-N 119.818 -1.801 . . . . 100.0 109.266 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.426 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.4 t80 -60.06 -42.65 94.98 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 126.811 2.044 . . . . 100.0 108.029 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.23 -38.9 92.69 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.932 1.693 . . . . 100.0 110.391 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -90.99 12.06 20.91 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 126.541 1.937 . . . . 100.0 112.251 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -58.81 -41.57 89.41 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-O 115.432 -2.223 . . . . 100.0 113.318 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.21 -33.75 98.16 Favored 'Trans proline' 0 C--N 1.379 2.182 0 CA-C-N 124.065 2.487 . . . . 100.0 112.469 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.14 -23.5 64.89 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 124.134 0.973 . . . . 100.0 112.539 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.3 m -61.04 -35.9 78.14 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 125.032 1.333 . . . . 100.0 110.402 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.89 -38.27 85.1 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 124.999 1.319 . . . . 100.0 110.567 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.49 139.05 57.01 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 106.753 -1.573 . . . . 100.0 106.753 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.45 11.35 31.03 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 114.596 1.332 . . . . 100.0 114.596 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -61.83 -38.92 89.98 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 113.449 0.907 . . . . 100.0 113.449 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -61.95 -42.34 99.0 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 124.178 0.991 . . . . 100.0 110.072 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -63.51 -39.96 95.8 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 124.214 1.006 . . . . 100.0 111.086 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -68.33 152.54 45.28 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.395 0.678 . . . . 100.0 110.001 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.88 6.3 63.67 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 115.791 -0.64 . . . . 100.0 112.202 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -103.89 144.67 31.21 Favored 'General case' 0 CA--C 1.494 -1.178 0 CA-C-O 121.628 0.728 . . . . 100.0 109.291 177.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -60.06 -49.22 78.5 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.373 1.469 . . . . 100.0 113.897 -177.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -132.84 125.2 29.47 Favored 'General case' 0 CA--C 1.486 -1.493 0 CA-C-N 118.93 0.786 . . . . 100.0 110.01 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.83 -38.1 85.79 Favored 'General case' 0 CA--C 1.498 -1.05 0 C-N-CA 124.715 1.206 . . . . 100.0 110.393 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.75 -25.02 67.99 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 126.795 2.038 . . . . 100.0 112.902 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -62.12 131.63 50.16 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 123.955 0.902 . . . . 100.0 109.098 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -82.9 123.75 29.69 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 122.325 1.06 . . . . 100.0 112.573 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -148.48 -171.8 3.93 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 127.652 2.381 . . . . 100.0 107.967 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.3 -43.5 96.25 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 125.17 1.388 . . . . 100.0 111.895 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 29.7 p90 -69.95 156.75 38.65 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 122.822 0.449 . . . . 100.0 110.71 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -78.29 124.63 85.67 Favored Pre-proline 0 N--CA 1.443 -0.825 0 N-CA-C 108.979 -0.748 . . . . 100.0 108.979 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -59.35 -36.19 94.92 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 124.386 3.39 . . . . 100.0 113.629 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.7 tt0 -79.22 127.72 32.4 Favored 'General case' 0 CA--C 1.495 -1.142 0 N-CA-C 105.32 -2.104 . . . . 100.0 105.32 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 60.3 mt-10 -98.72 129.63 45.18 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-O 121.983 0.897 . . . . 100.0 109.706 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.59 -47.38 85.73 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 125.658 1.583 . . . . 100.0 113.616 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.3 -40.86 90.28 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 113.347 0.869 . . . . 100.0 113.347 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.568 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 60.7 p -84.64 83.21 8.1 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-O 121.836 0.827 . . . . 100.0 109.629 -178.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -90.89 106.17 18.33 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 106.478 -1.675 . . . . 100.0 106.478 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.35 -12.76 61.82 Favored Glycine 0 N--CA 1.434 -1.493 0 CA-C-N 113.96 -1.473 . . . . 100.0 113.732 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.568 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 64.8 mt-10 -69.79 -42.18 74.1 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 118.465 1.133 . . . . 100.0 111.029 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -63.84 -43.69 95.41 Favored 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 124.258 1.023 . . . . 100.0 110.903 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.2 t70 53.87 43.04 31.49 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.552 1.941 . . . . 100.0 111.558 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.6 t -102.85 -48.43 10.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 N-CA-C 104.833 -2.284 . . . . 100.0 104.833 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.384 25.5 m-85 -64.52 -38.21 90.24 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 116.532 2.049 . . . . 100.0 116.532 -179.217 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.456 ' HB2' ' HD3' ' A' ' 60' ' ' PRO . 49.9 m-20 -62.06 -47.83 89.8 Favored Pre-proline 0 C--N 1.36 1.038 0 CA-C-O 116.967 -1.492 . . . . 100.0 111.2 178.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.456 ' HD3' ' HB2' ' A' ' 59' ' ' ASP . 32.3 Cg_exo -68.23 -25.32 36.92 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.611 2.207 . . . . 100.0 112.449 177.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 55.81 41.11 30.55 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 127.258 2.223 . . . . 100.0 111.93 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.6 tp -119.07 127.47 53.42 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 106.869 -1.53 . . . . 100.0 106.869 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -112.42 120.91 43.27 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 103.015 -2.958 . . . . 100.0 103.015 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 69.1 mtm -114.11 111.4 21.54 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 106.287 -1.746 . . . . 100.0 106.287 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.505 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 75.7 mt-10 -64.32 -40.52 96.08 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 114.392 -1.276 . . . . 100.0 112.968 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.38 -43.42 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 C-N-CA 124.828 1.251 . . . . 100.0 109.983 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.8 t -61.97 -47.73 91.85 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 CA-C-O 118.798 -0.62 . . . . 100.0 110.988 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.505 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.414 23.9 p90 -69.59 -38.05 77.17 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 115.3 1.593 . . . . 100.0 115.3 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -81.44 75.91 8.39 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 122.448 1.118 . . . . 100.0 111.731 -178.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.5 m -67.11 -41.56 86.02 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.684 1.194 . . . . 100.0 107.819 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.402 ' H ' ' CD ' ' A' ' 71' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.262 1.729 0 C-N-CA 124.402 1.081 . . . . 100.0 108.883 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.359 0 N-CA-C 110.013 -1.235 . . . . 100.0 110.013 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.07 152.63 47.74 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 113.4 -1.4 . . . . 100.0 108.568 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.3 m -84.42 83.26 8.05 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 105.981 -1.859 . . . . 100.0 105.981 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.73 141.71 46.2 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 104.117 -2.549 . . . . 100.0 104.117 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.82 128.57 36.52 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 115.278 -0.874 . . . . 100.0 110.779 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.06 28.66 18.0 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 113.082 -1.872 . . . . 100.0 112.822 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.1 p 51.68 43.44 29.89 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 126.832 2.053 . . . . 100.0 113.028 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.0 m -73.3 138.55 45.52 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 107.813 -1.18 . . . . 100.0 107.813 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.22 36.21 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 106.991 -1.485 . . . . 100.0 106.991 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -62.61 -41.99 99.32 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 117.627 2.455 . . . . 100.0 117.627 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.409 ' HG2' HG23 ' A' ' 13' ' ' ILE 0.25 15.5 pm0 -71.2 157.24 38.49 Favored 'General case' 0 CA--C 1.498 -1.056 0 CA-C-O 122.39 1.09 . . . . 100.0 113.419 -177.771 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -81.78 87.26 6.35 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 113.964 -1.471 . . . . 100.0 109.238 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.42 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.02 -11.04 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 N-CA-C 119.548 3.166 . . . . 100.0 119.548 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.08 147.33 52.42 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 119.79 1.177 . . . . 100.0 109.186 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.06 92.12 Favored 'General case' 0 CA--C 1.497 -1.095 0 C-N-CA 125.262 1.425 . . . . 100.0 113.184 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -63.13 -42.21 99.47 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 117.253 -1.356 . . . . 100.0 112.909 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.3 p 164.01 -47.97 0.0 OUTLIER 'General case' 0 C--N 1.376 1.759 0 O-C-N 124.666 1.229 . . . . 100.0 113.279 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.518 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.5 mtt -80.73 -179.15 7.12 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 116.35 1.981 . . . . 100.0 116.35 -176.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 20' ' ' PHE . 83.9 m -72.4 164.87 25.64 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 119.773 -1.829 . . . . 100.0 109.292 -178.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.415 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.16 -42.62 95.32 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 126.823 2.049 . . . . 100.0 108.01 178.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.21 -38.92 92.78 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.937 1.695 . . . . 100.0 110.417 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -91.04 12.19 20.59 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.523 1.929 . . . . 100.0 112.265 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.9 -41.54 89.16 Favored Pre-proline 0 N--CA 1.441 -0.912 0 CA-C-O 115.375 -2.25 . . . . 100.0 113.311 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.2 -33.77 98.19 Favored 'Trans proline' 0 C--N 1.378 2.13 0 CA-C-N 124.085 2.495 . . . . 100.0 112.455 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.09 -23.55 64.94 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 124.104 0.961 . . . . 100.0 112.562 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 92.8 m -61.01 -35.9 78.09 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 124.98 1.312 . . . . 100.0 110.455 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.81 -38.34 85.07 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 125.044 1.338 . . . . 100.0 110.58 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.46 139.12 57.04 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 106.768 -1.567 . . . . 100.0 106.768 177.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.54 11.69 30.03 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 114.548 1.314 . . . . 100.0 114.548 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -60.75 -41.08 94.7 Favored 'General case' 0 CA--C 1.501 -0.917 0 C-N-CA 124.493 1.117 . . . . 100.0 111.725 -178.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -63.1 -39.6 95.17 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 125.061 1.344 . . . . 100.0 109.9 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.9 ' HA ' ' HE1' ' A' ' 44' ' ' TRP . 86.2 mtt180 -61.91 -41.83 98.38 Favored 'General case' 0 CA--C 1.493 -1.234 0 C-N-CA 124.325 1.05 . . . . 100.0 112.286 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -66.9 147.26 53.47 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 109.147 -0.686 . . . . 100.0 109.147 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.56 -7.85 68.56 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-O 118.267 -1.296 . . . . 100.0 113.955 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -81.04 149.74 29.13 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 119.247 1.524 . . . . 100.0 110.459 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -60.43 -50.17 74.67 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 113.976 1.102 . . . . 100.0 113.976 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 68' ' ' PHE . 69.2 tp -142.04 129.64 21.46 Favored 'General case' 0 CA--C 1.488 -1.438 0 N-CA-C 107.897 -1.149 . . . . 100.0 107.897 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.15 -40.61 96.52 Favored 'General case' 0 CA--C 1.499 -0.988 0 C-N-CA 124.403 1.081 . . . . 100.0 111.507 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.76 -22.5 66.94 Favored 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.838 1.655 . . . . 100.0 114.635 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.542 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 86.7 t80 -60.86 130.58 47.19 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 109.088 -0.708 . . . . 100.0 109.088 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -87.47 123.9 32.87 Favored 'General case' 0 CA--C 1.487 -1.463 0 CA-C-O 122.901 1.334 . . . . 100.0 113.754 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.622 ' HG3' ' HB3' ' A' ' 44' ' ' TRP . 10.7 pt-20 -153.76 -173.3 4.52 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 112.762 -2.017 . . . . 100.0 106.956 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -61.5 -39.78 92.21 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 123.608 0.763 . . . . 100.0 112.063 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.9 ' HE1' ' HA ' ' A' ' 32' ' ' ARG 0.339 64.9 t90 -57.66 137.34 56.54 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 130.446 3.498 . . . . 100.0 106.161 178.342 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -78.31 120.26 80.46 Favored Pre-proline 0 C--N 1.362 1.15 0 N-CA-C 112.686 0.624 . . . . 100.0 112.686 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -60.78 -36.49 84.06 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 124.301 3.334 . . . . 100.0 114.033 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.8 tt0 -79.9 127.83 32.72 Favored 'General case' 0 CA--C 1.492 -1.256 0 N-CA-C 105.537 -2.023 . . . . 100.0 105.537 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -101.67 130.36 48.01 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 121.642 0.734 . . . . 100.0 109.619 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.8 mt -61.74 -46.38 89.88 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 124.994 1.318 . . . . 100.0 113.002 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.55 -42.73 95.52 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 113.598 0.962 . . . . 100.0 113.598 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 47.8 p -86.32 82.87 7.84 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 121.8 0.81 . . . . 100.0 110.006 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -92.13 107.08 18.95 Favored 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 106.79 -1.559 . . . . 100.0 106.79 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.95 -13.68 60.63 Favored Glycine 0 N--CA 1.433 -1.508 0 CA-C-N 113.906 -1.497 . . . . 100.0 113.269 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.514 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 91.5 mt-10 -70.71 -40.45 72.82 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 118.987 1.394 . . . . 100.0 110.821 178.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -62.46 -44.85 95.42 Favored 'General case' 0 CA--C 1.498 -1.028 0 C-N-CA 125.202 1.401 . . . . 100.0 111.686 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 54.05 41.06 32.17 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 125.231 1.412 . . . . 100.0 112.171 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.6 t -105.87 -51.65 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 N-CA-C 105.846 -1.909 . . . . 100.0 105.846 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.337 26.1 m-85 -65.41 -38.75 90.87 Favored 'General case' 0 CA--C 1.486 -1.487 0 N-CA-C 116.851 2.167 . . . . 100.0 116.851 -178.787 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -61.69 -48.35 90.04 Favored Pre-proline 0 C--N 1.356 0.884 0 CA-C-O 116.861 -1.542 . . . . 100.0 112.337 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -75.04 -18.12 18.9 Favored 'Trans proline' 0 C--N 1.379 2.158 0 CA-C-N 122.308 1.86 . . . . 100.0 112.984 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 54.11 45.12 28.13 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.314 1.846 . . . . 100.0 111.938 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.0 mt -108.15 127.15 53.56 Favored 'General case' 0 CA--C 1.491 -1.293 0 N-CA-C 107.166 -1.42 . . . . 100.0 107.166 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -113.71 118.8 35.35 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 103.084 -2.932 . . . . 100.0 103.084 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.2 mtm -116.26 112.04 21.02 Favored 'General case' 0 CA--C 1.491 -1.315 0 N-CA-C 105.552 -2.018 . . . . 100.0 105.552 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.446 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 63.7 mt-10 -63.93 -42.35 97.38 Favored 'General case' 0 CA--C 1.493 -1.212 0 CA-C-N 114.072 -1.422 . . . . 100.0 112.89 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.39 -44.6 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 C-N-CA 125.029 1.331 . . . . 100.0 110.401 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.2 t -62.42 -48.64 87.37 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 CA-C-O 118.618 -0.706 . . . . 100.0 111.45 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.542 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.372 8.4 p90 -70.1 -39.18 75.69 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 115.092 1.516 . . . . 100.0 115.092 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -82.72 74.54 9.67 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-O 122.304 1.05 . . . . 100.0 113.777 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.6 m -69.12 -40.76 78.11 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 105.73 -1.952 . . . . 100.0 105.73 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 . . . . . 0 C--O 1.26 1.636 0 C-N-CA 124.956 1.302 . . . . 100.0 107.694 179.077 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.41 0 N-CA-C 110.064 -1.214 . . . . 100.0 110.064 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -127.96 152.6 47.7 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 113.415 -1.393 . . . . 100.0 108.589 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.1 m -84.42 83.28 8.05 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 105.991 -1.855 . . . . 100.0 105.991 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.75 141.67 46.28 Favored 'General case' 0 N--CA 1.428 -1.566 0 N-CA-C 104.135 -2.543 . . . . 100.0 104.135 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.81 128.53 36.35 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 115.329 -0.85 . . . . 100.0 110.762 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.04 28.72 18.08 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.045 -1.889 . . . . 100.0 112.776 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.3 p 51.73 43.36 30.02 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 126.816 2.047 . . . . 100.0 113.029 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.26 138.58 45.6 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 107.838 -1.171 . . . . 100.0 107.838 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.19 36.18 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 106.942 -1.503 . . . . 100.0 106.942 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.6 -42.0 99.31 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 117.655 2.465 . . . . 100.0 117.655 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.412 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.26 157.25 38.44 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-O 122.398 1.094 . . . . 100.0 113.411 -177.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -81.73 87.28 6.33 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 113.913 -1.494 . . . . 100.0 109.216 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.423 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.09 -10.99 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 N-CA-C 119.499 3.148 . . . . 100.0 119.499 -178.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.11 147.33 52.47 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 119.809 1.186 . . . . 100.0 109.193 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.65 -42.06 91.94 Favored 'General case' 0 CA--C 1.497 -1.087 0 C-N-CA 125.234 1.414 . . . . 100.0 113.203 -176.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.487 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.8 m80 -63.07 -42.26 99.63 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-O 117.281 -1.343 . . . . 100.0 112.868 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.01 -48.05 0.0 OUTLIER 'General case' 0 C--N 1.377 1.788 0 O-C-N 124.673 1.233 . . . . 100.0 113.214 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.517 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.3 mtt -80.62 -179.16 7.08 Favored 'General case' 0 CA--C 1.504 -0.817 0 N-CA-C 116.343 1.979 . . . . 100.0 116.343 -176.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 20' ' ' PHE . 84.6 m -72.46 164.88 25.67 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 119.807 -1.808 . . . . 100.0 109.24 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.4 t80 -60.1 -42.71 95.26 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 126.873 2.069 . . . . 100.0 107.982 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' H ' HG22 ' A' ' 19' ' ' THR . 87.0 tt0 -64.15 -38.99 93.06 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 125.955 1.702 . . . . 100.0 110.374 178.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -90.98 12.15 20.6 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 126.506 1.922 . . . . 100.0 112.277 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -58.84 -41.56 89.33 Favored Pre-proline 0 N--CA 1.44 -0.951 0 CA-C-O 115.432 -2.223 . . . . 100.0 113.328 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -59.22 -33.75 98.1 Favored 'Trans proline' 0 C--N 1.379 2.175 0 CA-C-N 124.081 2.493 . . . . 100.0 112.446 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.07 -23.54 64.96 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 124.138 0.975 . . . . 100.0 112.527 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.3 m -61.07 -35.9 78.18 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.073 1.349 . . . . 100.0 110.385 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.85 -38.35 85.25 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.063 1.345 . . . . 100.0 110.541 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.49 139.08 57.0 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 106.757 -1.572 . . . . 100.0 106.757 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.46 16.47 15.19 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 114.583 1.327 . . . . 100.0 114.583 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -59.99 -45.0 94.15 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 125.436 1.494 . . . . 100.0 111.812 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -61.76 -44.21 97.35 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.034 1.333 . . . . 100.0 111.452 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -63.66 -39.74 95.09 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 126.333 1.853 . . . . 100.0 111.99 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -69.79 148.67 48.84 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 109.024 -0.732 . . . . 100.0 109.024 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.45 -8.36 69.05 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-O 118.435 -1.203 . . . . 100.0 113.137 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -81.58 142.95 32.33 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 118.927 1.363 . . . . 100.0 109.044 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -61.39 -48.33 81.71 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 124.075 0.95 . . . . 100.0 113.546 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.68 124.3 33.27 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 118.729 0.695 . . . . 100.0 110.617 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.9 -39.25 87.38 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 123.838 0.855 . . . . 100.0 110.169 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.71 -24.64 67.77 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 127.029 2.132 . . . . 100.0 113.522 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.439 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 89.0 t80 -60.47 132.96 55.56 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 123.454 0.701 . . . . 100.0 109.807 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -82.89 121.19 26.64 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.842 -1.072 . . . . 100.0 110.15 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.516 ' HG2' ' H ' ' A' ' 43' ' ' GLU . 30.4 tt0 -149.28 -177.4 5.82 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 104.488 -2.412 . . . . 100.0 104.488 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.516 ' H ' ' HG2' ' A' ' 42' ' ' GLU . 86.9 tt0 -61.46 -42.22 98.44 Favored 'General case' 0 C--N 1.356 0.853 0 O-C-N 121.012 -1.055 . . . . 100.0 111.735 -178.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.8 p-90 -65.87 149.42 50.22 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.427 0.691 . . . . 100.0 111.603 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -73.39 122.4 87.53 Favored Pre-proline 0 C--N 1.357 0.907 0 C-N-CA 123.322 0.649 . . . . 100.0 111.859 -177.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -59.79 -37.16 88.44 Favored 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 124.33 3.353 . . . . 100.0 113.934 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -79.46 127.58 32.29 Favored 'General case' 0 CA--C 1.49 -1.334 0 N-CA-C 105.602 -1.999 . . . . 100.0 105.602 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -102.15 133.0 47.71 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 122.054 0.93 . . . . 100.0 112.379 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.4 mt -62.17 -45.99 90.95 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 125.821 1.648 . . . . 100.0 112.578 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.77 -41.29 97.99 Favored 'General case' 0 CA--C 1.494 -1.198 0 C-N-CA 124.141 0.976 . . . . 100.0 112.399 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.475 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 72.6 p -85.05 88.28 7.45 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-O 121.469 0.652 . . . . 100.0 109.558 -178.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -95.12 99.85 11.76 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 104.409 -2.441 . . . . 100.0 104.409 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.51 -10.85 65.49 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 114.381 -1.281 . . . . 100.0 114.313 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.475 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 46.3 mt-10 -69.96 -42.57 73.0 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 118.772 1.286 . . . . 100.0 111.092 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -64.25 -43.89 93.47 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 124.062 0.945 . . . . 100.0 110.503 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.6 t70 52.61 41.67 31.29 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 127.867 2.467 . . . . 100.0 111.181 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.9 t -103.33 -48.2 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 N-CA-C 105.453 -2.054 . . . . 100.0 105.453 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.391 54.8 m-85 -66.01 -37.71 86.61 Favored 'General case' 0 CA--C 1.488 -1.439 0 N-CA-C 117.427 2.38 . . . . 100.0 117.427 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -61.23 -48.58 91.21 Favored Pre-proline 0 C--N 1.358 0.971 0 CA-C-O 116.814 -1.565 . . . . 100.0 111.128 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -74.73 -20.49 17.49 Favored 'Trans proline' 0 C--N 1.381 2.272 0 CA-C-N 122.302 1.858 . . . . 100.0 112.774 177.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.4 t70 53.47 45.33 28.48 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 127.946 2.498 . . . . 100.0 112.296 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.9 mt -110.75 125.68 53.78 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 105.315 -2.106 . . . . 100.0 105.315 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -111.94 123.64 50.67 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 104.646 -2.353 . . . . 100.0 104.646 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 64.3 mtt -111.47 111.04 21.78 Favored 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 105.52 -2.03 . . . . 100.0 105.52 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.426 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 50.7 mt-10 -63.92 -42.02 97.49 Favored 'General case' 0 CA--C 1.493 -1.216 0 CA-C-N 114.22 -1.355 . . . . 100.0 112.815 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.48 -44.36 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 C-N-CA 124.918 1.287 . . . . 100.0 110.344 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.5 t -62.52 -48.36 88.59 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 CA-C-O 118.017 -0.992 . . . . 100.0 111.169 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.439 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.343 6.5 p90 -68.66 -38.07 80.12 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 114.15 1.167 . . . . 100.0 114.15 -179.203 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -80.7 81.76 6.87 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-O 122.838 1.304 . . . . 100.0 113.673 -177.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.3 m -65.18 -42.49 93.57 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 113.548 -1.66 . . . . 100.0 106.708 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.403 ' H ' ' HG3' ' A' ' 71' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.259 1.558 0 C-N-CA 124.834 1.254 . . . . 100.0 108.41 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.387 0 N-CA-C 110.045 -1.222 . . . . 100.0 110.045 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.06 152.59 47.78 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 113.432 -1.384 . . . . 100.0 108.527 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.5 m -84.38 83.21 8.07 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 105.991 -1.855 . . . . 100.0 105.991 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.7 141.68 46.2 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 104.13 -2.544 . . . . 100.0 104.13 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.82 128.6 36.67 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 115.314 -0.857 . . . . 100.0 110.788 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.0 28.75 18.11 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 113.028 -1.896 . . . . 100.0 112.77 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 p 51.7 43.38 29.97 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.784 2.034 . . . . 100.0 113.059 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.32 138.56 45.49 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.796 -1.187 . . . . 100.0 107.796 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.01 130.22 36.22 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 106.99 -1.485 . . . . 100.0 106.99 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.59 -42.05 99.33 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 117.606 2.447 . . . . 100.0 117.606 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.415 ' HG2' HG23 ' A' ' 13' ' ' ILE 0.25 15.5 pm0 -71.18 157.21 38.54 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 122.388 1.09 . . . . 100.0 113.404 -177.767 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.75 87.25 6.34 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 113.912 -1.495 . . . . 100.0 109.273 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.09 -10.93 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 N-CA-C 119.502 3.149 . . . . 100.0 119.502 -178.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.13 147.34 52.46 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-N 119.795 1.179 . . . . 100.0 109.202 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.06 92.12 Favored 'General case' 0 CA--C 1.497 -1.084 0 C-N-CA 125.238 1.415 . . . . 100.0 113.139 -176.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -63.02 -42.32 99.78 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-O 117.289 -1.339 . . . . 100.0 112.891 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.03 -48.0 0.0 OUTLIER 'General case' 0 C--N 1.377 1.785 0 O-C-N 124.698 1.249 . . . . 100.0 113.231 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.521 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.3 mtt -80.63 -179.11 7.06 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 116.346 1.98 . . . . 100.0 116.346 -176.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 20' ' ' PHE . 83.4 m -72.51 164.83 25.78 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 119.795 -1.815 . . . . 100.0 109.299 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.421 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.04 -42.69 94.97 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.799 2.04 . . . . 100.0 108.021 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.14 -38.92 92.81 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 125.938 1.695 . . . . 100.0 110.445 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -91.06 12.13 20.83 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.596 1.958 . . . . 100.0 112.264 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.6 89.56 Favored Pre-proline 0 N--CA 1.441 -0.92 0 CA-C-O 115.421 -2.228 . . . . 100.0 113.272 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -59.25 -33.73 97.99 Favored 'Trans proline' 0 C--N 1.38 2.188 0 CA-C-N 124.034 2.476 . . . . 100.0 112.427 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.07 -23.59 64.97 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 124.144 0.978 . . . . 100.0 112.51 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 92.8 m -61.0 -35.93 78.14 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 125.094 1.358 . . . . 100.0 110.406 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.86 -38.32 85.16 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.079 1.351 . . . . 100.0 110.594 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.45 139.08 57.06 Favored 'General case' 0 C--N 1.36 1.043 0 N-CA-C 106.755 -1.572 . . . . 100.0 106.755 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.53 13.24 24.66 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 114.569 1.322 . . . . 100.0 114.569 -178.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -60.52 -42.29 96.15 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.338 1.055 . . . . 100.0 111.084 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -62.74 -43.96 97.44 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 125.414 1.486 . . . . 100.0 111.193 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -64.2 -42.91 96.44 Favored 'General case' 0 CA--C 1.497 -1.06 0 C-N-CA 123.928 0.891 . . . . 100.0 112.403 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -70.72 151.81 44.5 Favored 'General case' 0 CA--C 1.495 -1.149 0 CA-C-O 121.748 0.785 . . . . 100.0 113.078 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.64 7.12 63.4 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 115.12 -0.945 . . . . 100.0 111.745 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -103.68 148.46 26.01 Favored 'General case' 0 CA--C 1.49 -1.338 0 C-N-CA 123.484 0.714 . . . . 100.0 109.492 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -59.02 -49.43 77.92 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 114.906 1.447 . . . . 100.0 114.906 -175.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 68' ' ' PHE . 58.3 tp -138.97 125.0 19.96 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 116.623 -2.031 . . . . 100.0 109.898 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.57 -38.36 89.31 Favored 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 125.403 1.481 . . . . 100.0 111.215 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.32 -23.57 66.83 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 126.749 2.019 . . . . 100.0 112.705 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.566 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 90.6 t80 -62.15 130.47 45.61 Favored 'General case' 0 C--N 1.367 1.336 0 N-CA-C 108.384 -0.969 . . . . 100.0 108.384 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -89.52 122.84 33.08 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-O 122.758 1.266 . . . . 100.0 110.717 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -148.45 -165.88 2.39 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 113.086 -1.87 . . . . 100.0 106.668 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.8 -42.67 98.07 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-O 118.058 -0.972 . . . . 100.0 113.594 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.7 p90 -70.35 156.82 38.79 Favored 'General case' 0 C--N 1.362 1.147 0 CA-C-N 119.351 0.978 . . . . 100.0 111.522 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -76.66 123.1 87.57 Favored Pre-proline 0 N--CA 1.442 -0.842 0 N-CA-C 108.041 -1.096 . . . . 100.0 108.041 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -59.94 -34.63 95.07 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 124.392 3.395 . . . . 100.0 113.782 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -78.37 127.13 31.76 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 105.891 -1.892 . . . . 100.0 105.891 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -97.97 130.14 44.83 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-N 115.426 -0.806 . . . . 100.0 110.306 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -62.6 -46.33 88.78 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 114.535 -1.211 . . . . 100.0 112.994 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.34 -43.12 91.93 Favored 'General case' 0 CA--C 1.497 -1.081 0 N-CA-C 113.842 1.053 . . . . 100.0 113.842 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.528 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 47.4 p -87.28 80.64 8.16 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 121.237 0.541 . . . . 100.0 109.672 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -92.84 109.66 21.1 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 106.922 -1.511 . . . . 100.0 106.922 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.82 -14.55 61.43 Favored Glycine 0 N--CA 1.432 -1.574 0 CA-C-N 113.289 -1.778 . . . . 100.0 113.082 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.528 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 86.1 mt-10 -70.38 -43.11 70.75 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 118.712 1.256 . . . . 100.0 111.726 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -64.92 -43.93 91.18 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 123.658 0.783 . . . . 100.0 109.833 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.8 t70 51.78 43.82 29.75 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 127.86 2.464 . . . . 100.0 111.753 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.3 t -102.32 -48.23 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 N-CA-C 105.21 -2.144 . . . . 100.0 105.21 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.38 57.4 m-85 -65.56 -37.37 86.5 Favored 'General case' 0 N--CA 1.428 -1.573 0 N-CA-C 116.806 2.15 . . . . 100.0 116.806 -178.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -61.36 -48.47 91.02 Favored Pre-proline 0 C--N 1.36 1.048 0 CA-C-O 116.868 -1.539 . . . . 100.0 111.359 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -75.85 -18.87 16.63 Favored 'Trans proline' 0 C--N 1.379 2.146 0 CA-C-N 122.435 1.905 . . . . 100.0 112.741 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.2 t70 53.97 43.58 30.61 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 126.743 2.017 . . . . 100.0 112.985 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.8 tp -109.22 121.14 44.53 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 105.077 -2.194 . . . . 100.0 105.077 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -117.11 124.74 49.95 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 103.474 -2.788 . . . . 100.0 103.474 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 66.6 mtm -114.1 118.57 34.42 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 106.312 -1.736 . . . . 100.0 106.312 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.495 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 54.1 mt-10 -63.25 -43.06 99.06 Favored 'General case' 0 CA--C 1.492 -1.264 0 CA-C-N 114.055 -1.429 . . . . 100.0 113.347 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.53 -43.77 97.47 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 C-N-CA 124.704 1.202 . . . . 100.0 110.257 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.12 -48.07 90.21 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 CA-C-O 118.403 -0.808 . . . . 100.0 110.522 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.566 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.404 12.3 p90 -69.45 -39.19 77.92 Favored 'General case' 0 C--N 1.361 1.087 0 N-CA-C 115.476 1.658 . . . . 100.0 115.476 -179.666 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -81.72 76.79 8.62 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 122.888 1.328 . . . . 100.0 111.585 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.5 m -66.42 -40.93 89.83 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 126.076 1.75 . . . . 100.0 107.438 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.544 ' H ' ' CD ' ' A' ' 71' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.261 1.698 0 N-CA-C 108.085 -1.08 . . . . 100.0 108.085 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.349 0 N-CA-C 110.007 -1.237 . . . . 100.0 110.007 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -128.03 152.6 47.74 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 113.404 -1.398 . . . . 100.0 108.552 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.9 m -84.43 83.28 8.05 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 105.989 -1.856 . . . . 100.0 105.989 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.7 141.66 46.23 Favored 'General case' 0 N--CA 1.427 -1.594 0 N-CA-C 104.171 -2.529 . . . . 100.0 104.171 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.79 128.58 36.59 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 115.324 -0.853 . . . . 100.0 110.771 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.01 28.75 18.11 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 113.083 -1.871 . . . . 100.0 112.769 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.2 p 51.61 43.43 29.8 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 126.81 2.044 . . . . 100.0 113.067 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.3 138.59 45.54 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 107.832 -1.173 . . . . 100.0 107.832 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.01 130.24 36.25 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 107.003 -1.48 . . . . 100.0 107.003 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.63 -42.0 99.34 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 117.646 2.461 . . . . 100.0 117.646 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.412 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.2 157.24 38.48 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-O 122.395 1.093 . . . . 100.0 113.447 -177.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.78 87.29 6.35 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 113.961 -1.472 . . . . 100.0 109.221 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.423 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.05 -11.06 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 N-CA-C 119.527 3.158 . . . . 100.0 119.527 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.3 t -64.06 147.29 52.5 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 119.81 1.186 . . . . 100.0 109.228 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.14 92.04 Favored 'General case' 0 CA--C 1.497 -1.07 0 C-N-CA 125.271 1.428 . . . . 100.0 113.152 -176.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.6 m80 -62.99 -42.31 99.81 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-O 117.257 -1.354 . . . . 100.0 112.903 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.6 p 164.04 -48.0 0.0 OUTLIER 'General case' 0 C--N 1.377 1.776 0 O-C-N 124.704 1.253 . . . . 100.0 113.23 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.522 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.65 -179.11 7.07 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 116.325 1.972 . . . . 100.0 116.325 -176.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 20' ' ' PHE . 86.5 m -72.52 164.82 25.79 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 119.814 -1.804 . . . . 100.0 109.244 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.42 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.0 -42.74 94.93 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 126.806 2.043 . . . . 100.0 108.018 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.13 -39.01 93.11 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 125.953 1.701 . . . . 100.0 110.416 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -90.94 12.09 20.69 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 126.548 1.939 . . . . 100.0 112.294 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.53 89.19 Favored Pre-proline 0 N--CA 1.44 -0.941 0 CA-C-O 115.407 -2.235 . . . . 100.0 113.322 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.22 -33.74 98.1 Favored 'Trans proline' 0 C--N 1.379 2.165 0 CA-C-N 124.095 2.498 . . . . 100.0 112.486 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.05 -23.6 64.98 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 124.145 0.978 . . . . 100.0 112.541 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.3 m -61.03 -35.93 78.19 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 125.039 1.336 . . . . 100.0 110.402 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.79 -38.35 85.03 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.024 1.33 . . . . 100.0 110.589 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.47 139.1 57.03 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 106.767 -1.568 . . . . 100.0 106.767 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.509 ' HG ' ' HD2' ' A' ' 32' ' ' ARG . 8.1 mp -94.5 16.95 14.04 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 114.579 1.326 . . . . 100.0 114.579 -178.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -60.63 -43.55 97.39 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.864 1.265 . . . . 100.0 110.702 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.44 -41.47 98.75 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.938 1.695 . . . . 100.0 111.55 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.707 ' HD3' ' HE1' ' A' ' 44' ' ' TRP . 68.4 mtt180 -61.49 -42.34 98.64 Favored 'General case' 0 CA--C 1.496 -1.105 0 C-N-CA 125.3 1.44 . . . . 100.0 111.099 -177.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -70.05 152.21 44.64 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 109.166 -0.679 . . . . 100.0 109.166 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.55 -8.67 66.47 Favored Glycine 0 C--N 1.351 1.368 0 CA-C-O 118.554 -1.136 . . . . 100.0 112.802 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -86.98 142.72 27.75 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 118.777 1.289 . . . . 100.0 108.849 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -61.39 -48.94 78.95 Favored 'General case' 0 N--CA 1.44 -0.965 0 N-CA-C 113.693 0.997 . . . . 100.0 113.693 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 68' ' ' PHE . 63.4 tp -134.08 128.86 35.07 Favored 'General case' 0 CA--C 1.49 -1.336 0 C-N-CA 118.484 -1.286 . . . . 100.0 109.346 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.453 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 94.8 mt -63.17 -40.83 98.68 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 126.296 1.839 . . . . 100.0 111.009 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.42 -22.56 66.96 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 126.08 1.752 . . . . 100.0 114.24 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.5 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 87.4 t80 -58.89 132.21 53.3 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 107.939 -1.134 . . . . 100.0 107.939 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -93.07 124.05 36.77 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-O 122.388 1.09 . . . . 100.0 111.997 -175.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HG3' ' HB3' ' A' ' 44' ' ' TRP . 12.6 pt-20 -153.77 -168.02 2.85 Favored 'General case' 0 N--CA 1.437 -1.082 0 C-N-CA 126.17 1.788 . . . . 100.0 107.259 178.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -60.27 -39.87 88.34 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 124.551 1.141 . . . . 100.0 111.28 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.707 ' HE1' ' HD3' ' A' ' 32' ' ' ARG 0.266 5.6 t90 -55.41 140.06 41.22 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 128.145 2.578 . . . . 100.0 109.37 176.381 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -82.0 121.27 78.91 Favored Pre-proline 0 C--N 1.361 1.082 0 N-CA-C 108.139 -1.06 . . . . 100.0 108.139 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -58.88 -36.87 96.23 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 124.36 3.373 . . . . 100.0 113.708 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 86.5 tt0 -76.08 128.8 35.74 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 106.201 -1.778 . . . . 100.0 106.201 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -101.82 128.54 48.14 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-O 122.049 0.928 . . . . 100.0 109.149 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.73 -47.33 85.74 Favored 'General case' 0 N--CA 1.437 -1.082 0 C-N-CA 125.423 1.489 . . . . 100.0 113.82 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.74 -41.47 87.77 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 113.602 0.964 . . . . 100.0 113.602 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.544 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 42.9 p -85.97 83.77 7.7 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 122.183 0.992 . . . . 100.0 110.048 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -90.97 106.91 18.85 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 107.55 -1.278 . . . . 100.0 107.55 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.85 -14.09 59.44 Favored Glycine 0 N--CA 1.432 -1.582 0 CA-C-N 113.747 -1.569 . . . . 100.0 113.237 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.544 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 83.2 mt-10 -70.16 -41.9 73.22 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 118.487 1.143 . . . . 100.0 111.689 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.25 -45.06 93.33 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.593 1.157 . . . . 100.0 110.131 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.6 t0 53.54 42.27 31.95 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 127.156 2.183 . . . . 100.0 111.971 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.2 t -102.33 -46.6 11.04 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 105.426 -2.064 . . . . 100.0 105.426 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.378 35.6 m-85 -65.41 -38.12 88.98 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 117.029 2.233 . . . . 100.0 117.029 -179.245 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -61.85 -49.06 87.53 Favored Pre-proline 0 C--N 1.357 0.927 0 CA-C-O 116.892 -1.528 . . . . 100.0 111.895 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.76 -24.08 18.54 Favored 'Trans proline' 0 C--N 1.38 2.223 0 CA-C-N 122.421 1.9 . . . . 100.0 112.156 177.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t70 53.38 45.91 27.39 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 127.534 2.333 . . . . 100.0 112.301 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.4 mt -110.37 123.95 50.8 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 105.53 -2.026 . . . . 100.0 105.53 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -115.18 119.7 37.27 Favored 'General case' 0 N--CA 1.434 -1.252 0 N-CA-C 102.97 -2.974 . . . . 100.0 102.97 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 59.3 mtm -114.97 118.34 33.18 Favored 'General case' 0 CA--C 1.492 -1.282 0 N-CA-C 107.778 -1.193 . . . . 100.0 107.778 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.443 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 66.6 mt-10 -63.53 -42.82 98.43 Favored 'General case' 0 CA--C 1.495 -1.141 0 CA-C-N 113.997 -1.456 . . . . 100.0 112.979 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.75 -43.79 97.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 C-N-CA 124.514 1.126 . . . . 100.0 110.12 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.07 -47.74 91.76 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 CA-C-O 118.404 -0.808 . . . . 100.0 110.741 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.514 ' HA ' HD23 ' A' ' 37' ' ' LEU 0.429 9.5 p90 -68.66 -38.57 80.52 Favored 'General case' 0 C--N 1.362 1.152 0 N-CA-C 115.081 1.511 . . . . 100.0 115.081 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -81.92 76.68 8.81 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 122.717 1.246 . . . . 100.0 110.896 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.1 m -66.37 -39.85 89.38 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 126.363 1.865 . . . . 100.0 108.077 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 . . . . . 0 C--O 1.261 1.666 0 C-N-CA 125.429 1.491 . . . . 100.0 107.916 179.923 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.335 0 N-CA-C 110.015 -1.234 . . . . 100.0 110.015 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.04 152.62 47.73 Favored 'General case' 0 CA--C 1.495 -1.166 0 CA-C-N 113.419 -1.391 . . . . 100.0 108.555 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.9 m -84.44 83.23 8.07 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 105.914 -1.884 . . . . 100.0 105.914 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.65 141.68 46.14 Favored 'General case' 0 N--CA 1.427 -1.596 0 N-CA-C 104.184 -2.524 . . . . 100.0 104.184 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.59 36.62 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.327 -0.851 . . . . 100.0 110.786 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.04 28.69 18.03 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 113.071 -1.877 . . . . 100.0 112.79 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.1 p 51.69 43.44 29.91 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.831 2.053 . . . . 100.0 113.02 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.9 m -73.32 138.6 45.51 Favored 'General case' 0 C--N 1.357 0.929 0 N-CA-C 107.834 -1.173 . . . . 100.0 107.834 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.0 130.26 36.28 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 106.967 -1.494 . . . . 100.0 106.967 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -62.63 -42.03 99.36 Favored 'General case' 0 CA--C 1.495 -1.17 0 N-CA-C 117.581 2.438 . . . . 100.0 117.581 -177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.405 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.24 157.21 38.52 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 122.406 1.098 . . . . 100.0 113.388 -177.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.73 87.24 6.33 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 113.931 -1.486 . . . . 100.0 109.279 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.431 HD11 ' HB2' ' A' ' 20' ' ' PHE . 2.2 pp -84.04 -11.05 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 N-CA-C 119.514 3.153 . . . . 100.0 119.514 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.05 147.35 52.34 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 119.824 1.193 . . . . 100.0 109.195 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.08 92.42 Favored 'General case' 0 CA--C 1.497 -1.094 0 C-N-CA 125.285 1.434 . . . . 100.0 113.142 -176.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -62.98 -42.37 99.82 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-O 117.235 -1.364 . . . . 100.0 112.887 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.8 p 164.06 -47.95 0.0 OUTLIER 'General case' 0 C--N 1.376 1.76 0 O-C-N 124.74 1.275 . . . . 100.0 113.211 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.515 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.74 -179.12 7.1 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 116.309 1.966 . . . . 100.0 116.309 -176.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 20' ' ' PHE . 83.1 m -72.41 164.83 25.7 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 119.778 -1.826 . . . . 100.0 109.296 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.431 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.4 t80 -60.06 -42.65 94.99 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.767 2.027 . . . . 100.0 108.047 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.24 -38.93 92.79 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.961 1.705 . . . . 100.0 110.377 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -90.98 12.14 20.63 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 126.554 1.942 . . . . 100.0 112.275 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.86 -41.51 89.03 Favored Pre-proline 0 N--CA 1.441 -0.911 0 CA-C-O 115.411 -2.233 . . . . 100.0 113.325 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.2 -33.82 98.2 Favored 'Trans proline' 0 C--N 1.38 2.192 0 CA-C-N 124.073 2.49 . . . . 100.0 112.437 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.05 -23.55 64.98 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.129 0.972 . . . . 100.0 112.563 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.515 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.4 m -61.07 -35.93 78.28 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 125.055 1.342 . . . . 100.0 110.37 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.4 m -60.81 -38.29 84.87 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 125.04 1.336 . . . . 100.0 110.581 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.56 139.06 56.91 Favored 'General case' 0 C--N 1.36 1.041 0 N-CA-C 106.755 -1.572 . . . . 100.0 106.755 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.46 11.25 31.39 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 114.6 1.333 . . . . 100.0 114.6 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -61.63 -39.25 90.63 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 123.267 0.627 . . . . 100.0 112.395 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -62.13 -42.36 99.17 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 123.638 0.775 . . . . 100.0 110.742 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -62.62 -39.62 94.38 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 124.157 0.983 . . . . 100.0 111.464 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -69.49 151.96 45.42 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.756 -0.831 . . . . 100.0 108.756 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.95 2.34 64.66 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-O 119.274 -0.736 . . . . 100.0 112.243 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -98.65 138.36 35.94 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 107.588 -1.264 . . . . 100.0 107.588 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.38 -47.5 85.81 Favored 'General case' 0 N--CA 1.435 -1.198 0 C-N-CA 124.982 1.313 . . . . 100.0 113.01 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -129.97 125.43 35.39 Favored 'General case' 0 CA--C 1.492 -1.252 0 CA-C-N 118.839 0.745 . . . . 100.0 110.514 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.1 -39.82 90.28 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 125.449 1.5 . . . . 100.0 110.163 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.73 -23.41 67.35 Favored 'General case' 0 CA--C 1.498 -1.044 0 C-N-CA 126.461 1.904 . . . . 100.0 114.278 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 73.4 t80 -62.44 134.46 56.45 Favored 'General case' 0 C--N 1.36 1.054 0 CA-C-O 121.774 0.797 . . . . 100.0 109.949 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -81.26 119.67 23.93 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 122.754 1.264 . . . . 100.0 110.966 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -144.96 179.88 7.06 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 128.328 2.651 . . . . 100.0 106.287 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -61.39 -42.33 98.55 Favored 'General case' 0 C--N 1.357 0.891 0 C-N-CA 123.965 0.906 . . . . 100.0 110.338 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -65.06 147.24 53.84 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.623 0.769 . . . . 100.0 111.545 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -74.01 125.02 90.54 Favored Pre-proline 0 C--N 1.355 0.806 0 CA-C-N 116.03 -0.532 . . . . 100.0 111.028 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -58.37 -37.11 96.47 Favored 'Trans proline' 0 C--N 1.372 1.786 0 C-N-CA 124.383 3.388 . . . . 100.0 114.801 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.477 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.7 tt0 -78.41 128.13 33.19 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 105.716 -1.957 . . . . 100.0 105.716 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.402 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 55.3 mt-10 -100.94 131.66 46.72 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-O 121.742 0.782 . . . . 100.0 110.321 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.79 -47.08 86.76 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 124.979 1.311 . . . . 100.0 113.66 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.21 -41.79 94.13 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 113.389 0.885 . . . . 100.0 113.389 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.504 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 60.7 p -84.95 82.39 8.47 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-O 121.814 0.816 . . . . 100.0 111.005 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -92.02 106.23 18.3 Favored 'General case' 0 N--CA 1.435 -1.18 0 N-CA-C 106.735 -1.58 . . . . 100.0 106.735 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.05 -13.64 60.9 Favored Glycine 0 N--CA 1.433 -1.513 0 CA-C-N 113.709 -1.587 . . . . 100.0 113.81 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.504 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 75.4 mt-10 -70.33 -41.05 73.76 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 118.4 1.1 . . . . 100.0 110.715 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -62.64 -45.78 91.27 Favored 'General case' 0 CA--C 1.493 -1.214 0 C-N-CA 124.735 1.214 . . . . 100.0 109.845 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.6 t0 53.66 42.43 31.85 Favored 'General case' 0 C--N 1.361 1.106 0 C-N-CA 126.334 1.854 . . . . 100.0 110.521 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.1 t -103.77 -51.5 8.63 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.879 0 N-CA-C 106.535 -1.654 . . . . 100.0 106.535 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.326 25.7 m-85 -64.76 -39.49 93.71 Favored 'General case' 0 CA--C 1.487 -1.45 0 N-CA-C 116.78 2.141 . . . . 100.0 116.78 -178.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -61.72 -48.61 89.26 Favored Pre-proline 0 C--N 1.357 0.932 0 CA-C-O 116.911 -1.519 . . . . 100.0 113.393 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -76.46 -18.27 15.82 Favored 'Trans proline' 0 C--N 1.377 2.072 0 CA-C-N 122.357 1.877 . . . . 100.0 113.28 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 53.76 44.22 29.92 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 126.302 1.841 . . . . 100.0 112.435 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 tp -110.65 120.93 44.03 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 106.132 -1.803 . . . . 100.0 106.132 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -119.66 125.05 47.76 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 105.366 -2.087 . . . . 100.0 105.366 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 61.1 mtm -116.35 114.63 24.57 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 106.625 -1.62 . . . . 100.0 106.625 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.481 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 77.4 mt-10 -64.66 -40.08 94.81 Favored 'General case' 0 CA--C 1.488 -1.439 0 CA-C-N 114.815 -1.084 . . . . 100.0 113.648 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.31 -43.77 97.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 C-N-CA 124.086 0.954 . . . . 100.0 109.723 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.07 -48.93 86.21 Favored 'Isoleucine or valine' 0 C--N 1.36 1.05 0 CA-C-O 117.918 -1.039 . . . . 100.0 111.005 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.481 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.382 18.1 p90 -69.22 -39.02 78.82 Favored 'General case' 0 C--N 1.361 1.085 0 N-CA-C 115.028 1.492 . . . . 100.0 115.028 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 . . . . . 0 CA--C 1.495 -1.151 0 CA-C-O 123.185 1.469 . . . . 100.0 114.005 -178.329 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.422 0 N-CA-C 110.033 -1.227 . . . . 100.0 110.033 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -128.02 152.63 47.7 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 113.449 -1.375 . . . . 100.0 108.562 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.6 m -84.39 83.23 8.06 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 106.005 -1.85 . . . . 100.0 106.005 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.67 141.65 46.21 Favored 'General case' 0 N--CA 1.427 -1.618 0 N-CA-C 104.187 -2.523 . . . . 100.0 104.187 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.7 128.52 36.34 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 115.334 -0.848 . . . . 100.0 110.79 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.05 28.7 18.05 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 113.096 -1.865 . . . . 100.0 112.811 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.1 p 51.65 43.4 29.87 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.831 2.052 . . . . 100.0 113.049 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.25 138.61 45.64 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 107.786 -1.19 . . . . 100.0 107.786 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.2 36.18 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 106.964 -1.495 . . . . 100.0 106.964 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.61 -41.95 99.29 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 117.614 2.45 . . . . 100.0 117.614 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.418 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.34 157.21 38.48 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-O 122.367 1.08 . . . . 100.0 113.414 -177.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -81.76 87.33 6.34 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 113.98 -1.463 . . . . 100.0 109.173 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.424 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.08 -11.01 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 119.547 3.165 . . . . 100.0 119.547 -178.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.08 147.33 52.44 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 119.826 1.194 . . . . 100.0 109.216 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.03 92.1 Favored 'General case' 0 CA--C 1.497 -1.094 0 C-N-CA 125.286 1.434 . . . . 100.0 113.185 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.6 m80 -63.13 -42.23 99.45 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-O 117.246 -1.359 . . . . 100.0 112.885 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.4 p 164.06 -48.04 0.0 OUTLIER 'General case' 0 C--N 1.377 1.767 0 O-C-N 124.68 1.237 . . . . 100.0 113.191 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.522 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.65 -179.17 7.09 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 116.3 1.963 . . . . 100.0 116.3 -176.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 20' ' ' PHE . 84.0 m -72.42 164.84 25.7 Favored 'General case' 0 C--N 1.36 1.045 0 O-C-N 119.813 -1.804 . . . . 100.0 109.273 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.11 -42.62 95.13 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 126.814 2.046 . . . . 100.0 108.042 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' H ' HG22 ' A' ' 19' ' ' THR . 87.0 tt0 -64.23 -38.9 92.7 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 125.891 1.676 . . . . 100.0 110.42 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -91.05 12.2 20.59 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 126.492 1.917 . . . . 100.0 112.268 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.57 89.37 Favored Pre-proline 0 N--CA 1.44 -0.935 0 CA-C-O 115.447 -2.216 . . . . 100.0 113.344 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.21 -33.77 98.17 Favored 'Trans proline' 0 C--N 1.379 2.181 0 CA-C-N 124.039 2.478 . . . . 100.0 112.451 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.05 -23.62 64.99 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 124.147 0.979 . . . . 100.0 112.547 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 92.9 m -61.0 -35.93 78.15 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 125.059 1.344 . . . . 100.0 110.403 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.78 -38.39 85.16 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.047 1.339 . . . . 100.0 110.554 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.44 139.08 57.07 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 106.746 -1.576 . . . . 100.0 106.746 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.5 17.08 13.77 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 114.617 1.34 . . . . 100.0 114.617 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.9 -44.92 93.98 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 125.058 1.343 . . . . 100.0 111.271 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -63.49 -40.59 97.5 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 123.665 0.786 . . . . 100.0 112.812 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -65.01 -40.16 94.49 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 124.113 0.965 . . . . 100.0 111.308 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -67.97 151.26 47.38 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.085 0.954 . . . . 100.0 110.671 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.36 -1.65 69.92 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-O 119.005 -0.886 . . . . 100.0 112.339 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -95.47 142.19 28.13 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 118.084 0.942 . . . . 100.0 110.079 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -60.01 -48.01 83.48 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 125.202 1.401 . . . . 100.0 113.895 -176.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.7 mt -129.58 124.15 33.09 Favored 'General case' 0 CA--C 1.489 -1.368 0 CA-C-N 119.122 0.874 . . . . 100.0 111.317 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.78 -39.05 84.13 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 124.625 1.17 . . . . 100.0 110.432 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.82 -24.4 67.74 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 125.974 1.709 . . . . 100.0 113.297 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.414 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 63.1 t80 -61.4 134.65 57.15 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 123.891 0.876 . . . . 100.0 110.493 -178.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -78.48 123.56 27.18 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-O 123.126 1.441 . . . . 100.0 112.184 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -146.64 176.63 9.69 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 129.35 3.06 . . . . 100.0 106.941 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -61.39 -40.7 95.3 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.791 0.836 . . . . 100.0 110.536 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.6 p90 -69.46 156.81 38.26 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.369 0.604 . . . . 100.0 112.227 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -75.09 124.49 89.42 Favored Pre-proline 0 N--CA 1.439 -1.005 0 CA-C-N 114.697 -1.138 . . . . 100.0 110.158 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.33 -34.8 93.2 Favored 'Trans proline' 0 C--N 1.371 1.727 0 C-N-CA 124.568 3.512 . . . . 100.0 112.709 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.477 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.6 tt0 -76.77 128.45 34.66 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 106.022 -1.844 . . . . 100.0 106.022 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.457 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 61.7 mt-10 -100.01 129.5 46.07 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-O 121.891 0.853 . . . . 100.0 109.977 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.4 mt -62.85 -45.94 90.22 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 125.187 1.395 . . . . 100.0 112.871 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.35 -42.74 96.07 Favored 'General case' 0 CA--C 1.496 -1.101 0 C-N-CA 123.965 0.906 . . . . 100.0 113.256 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.616 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 24.2 p -86.63 84.94 7.29 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-O 121.909 0.861 . . . . 100.0 110.189 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -91.83 105.95 18.1 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 105.973 -1.862 . . . . 100.0 105.973 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.73 -12.62 62.99 Favored Glycine 0 N--CA 1.435 -1.388 0 CA-C-N 113.859 -1.519 . . . . 100.0 113.902 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.616 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 38.6 mt-10 -70.23 -42.43 72.28 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 118.552 1.176 . . . . 100.0 111.174 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.28 -44.85 93.91 Favored 'General case' 0 CA--C 1.497 -1.066 0 C-N-CA 124.388 1.075 . . . . 100.0 110.023 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.4 t0 54.04 41.07 32.17 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 127.249 2.22 . . . . 100.0 111.275 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.5 t -101.83 -47.61 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 N-CA-C 105.37 -2.085 . . . . 100.0 105.37 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.369 26.1 m-85 -64.39 -38.32 90.63 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 116.771 2.138 . . . . 100.0 116.771 -178.759 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.461 ' HB2' ' HD3' ' A' ' 60' ' ' PRO . 64.5 m-20 -61.91 -48.34 89.18 Favored Pre-proline 0 C--N 1.359 1.016 0 CA-C-O 116.906 -1.521 . . . . 100.0 110.895 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.461 ' HD3' ' HB2' ' A' ' 59' ' ' ASP . 33.6 Cg_exo -70.3 -26.19 25.3 Favored 'Trans proline' 0 C--N 1.383 2.346 0 C-N-CA 122.259 1.972 . . . . 100.0 112.023 177.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.7 t70 55.73 42.42 29.27 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 127.367 2.267 . . . . 100.0 111.709 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.4 mt -115.14 128.07 55.97 Favored 'General case' 0 CA--C 1.491 -1.317 0 N-CA-C 107.095 -1.446 . . . . 100.0 107.095 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -109.74 121.85 46.16 Favored 'General case' 0 CA--C 1.492 -1.265 0 N-CA-C 104.608 -2.367 . . . . 100.0 104.608 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 89.7 mtp -109.28 109.45 20.37 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 105.761 -1.94 . . . . 100.0 105.761 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.504 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 51.5 mt-10 -64.09 -40.93 97.3 Favored 'General case' 0 CA--C 1.491 -1.291 0 CA-C-N 114.34 -1.3 . . . . 100.0 113.494 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.42 -44.26 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 C-N-CA 124.577 1.151 . . . . 100.0 109.968 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.7 t -62.4 -49.39 84.12 Favored 'Isoleucine or valine' 0 C--N 1.361 1.086 0 CA-C-O 118.13 -0.938 . . . . 100.0 110.88 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.444 26.5 p90 -68.74 -38.52 80.22 Favored 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 116.545 2.054 . . . . 100.0 116.545 -179.404 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 . . . . . 0 N--CA 1.437 -1.093 0 CA-C-O 122.528 1.156 . . . . 100.0 111.648 -178.302 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.388 0 N-CA-C 110.052 -1.219 . . . . 100.0 110.052 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.05 152.63 47.72 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 113.419 -1.39 . . . . 100.0 108.554 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.9 m -84.4 83.21 8.07 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 106.004 -1.85 . . . . 100.0 106.004 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.66 141.72 46.11 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 104.123 -2.547 . . . . 100.0 104.123 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.86 128.55 36.41 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 115.267 -0.879 . . . . 100.0 110.701 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.05 28.76 18.13 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 113.001 -1.909 . . . . 100.0 112.78 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.5 p 51.63 43.4 29.85 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 126.84 2.056 . . . . 100.0 113.063 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -73.25 138.59 45.64 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 107.851 -1.166 . . . . 100.0 107.851 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.23 36.23 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 106.976 -1.49 . . . . 100.0 106.976 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.62 -42.0 99.33 Favored 'General case' 0 N--CA 1.437 -1.117 0 N-CA-C 117.594 2.442 . . . . 100.0 117.594 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.419 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.28 157.24 38.45 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-O 122.408 1.099 . . . . 100.0 113.431 -177.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -81.72 87.24 6.33 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 113.972 -1.467 . . . . 100.0 109.243 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.419 HG23 ' HG2' ' A' ' 11' ' ' GLN . 2.2 pp -84.02 -10.99 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 N-CA-C 119.541 3.163 . . . . 100.0 119.541 -178.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.17 147.34 52.52 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 119.824 1.193 . . . . 100.0 109.199 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.74 -42.09 92.39 Favored 'General case' 0 CA--C 1.497 -1.089 0 C-N-CA 125.279 1.432 . . . . 100.0 113.13 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.5 m80 -63.01 -42.27 99.79 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 117.258 -1.353 . . . . 100.0 112.914 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.02 -47.98 0.0 OUTLIER 'General case' 0 C--N 1.376 1.759 0 O-C-N 124.655 1.222 . . . . 100.0 113.227 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.523 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.71 -179.11 7.09 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 116.347 1.98 . . . . 100.0 116.347 -176.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 20' ' ' PHE . 86.0 m -72.51 164.87 25.72 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 119.833 -1.792 . . . . 100.0 109.282 -178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.423 ' N ' HG22 ' A' ' 19' ' ' THR . 84.5 t80 -60.1 -42.66 95.15 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 126.776 2.03 . . . . 100.0 108.028 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' H ' HG22 ' A' ' 19' ' ' THR . 87.0 tt0 -64.15 -38.96 92.95 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 125.936 1.695 . . . . 100.0 110.428 178.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -90.97 12.08 20.79 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 126.559 1.944 . . . . 100.0 112.283 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.51 89.04 Favored Pre-proline 0 N--CA 1.44 -0.939 0 CA-C-O 115.408 -2.234 . . . . 100.0 113.331 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.21 -33.77 98.16 Favored 'Trans proline' 0 C--N 1.38 2.186 0 CA-C-N 124.071 2.49 . . . . 100.0 112.452 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.06 -23.59 64.98 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 124.137 0.975 . . . . 100.0 112.552 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.2 m -61.06 -35.91 78.2 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 125.069 1.348 . . . . 100.0 110.398 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.4 m -60.76 -38.4 85.12 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 125.068 1.347 . . . . 100.0 110.607 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.43 139.05 57.08 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 106.779 -1.563 . . . . 100.0 106.779 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.5 15.13 18.66 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 114.566 1.321 . . . . 100.0 114.566 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -59.52 -44.29 93.19 Favored 'General case' 0 CA--C 1.5 -0.97 0 C-N-CA 123.052 0.541 . . . . 100.0 111.891 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -64.25 -41.08 97.12 Favored 'General case' 0 N--CA 1.433 -1.287 0 C-N-CA 123.891 0.876 . . . . 100.0 112.169 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -64.07 -40.67 96.76 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.925 0.89 . . . . 100.0 112.207 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -68.29 150.82 47.78 Favored 'General case' 0 CA--C 1.5 -0.943 0 C-N-CA 124.441 1.096 . . . . 100.0 111.156 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.47 4.21 70.91 Favored Glycine 0 C--N 1.354 1.541 0 CA-C-O 118.907 -0.94 . . . . 100.0 113.468 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -98.25 151.26 20.65 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-N 118.577 1.189 . . . . 100.0 110.56 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -59.0 -50.17 75.12 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 115.687 1.736 . . . . 100.0 115.687 -175.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 68' ' ' PHE . 65.6 tp -140.48 127.96 21.4 Favored 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 118.047 -1.461 . . . . 100.0 108.602 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.23 -39.43 92.73 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 125.116 1.366 . . . . 100.0 111.693 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.96 -23.75 67.56 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.579 1.552 . . . . 100.0 113.145 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.497 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 85.9 t80 -60.99 132.13 52.87 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-O 121.536 0.684 . . . . 100.0 109.814 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -83.27 121.21 26.82 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 114.702 -1.136 . . . . 100.0 110.843 -176.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . 0.31 14.9 pt-20 -152.86 -166.97 2.6 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 126.049 1.739 . . . . 100.0 109.114 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -58.8 -46.21 88.11 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 114.096 1.147 . . . . 100.0 114.096 -176.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -73.45 159.51 33.12 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 112.404 0.52 . . . . 100.0 112.404 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -78.37 127.32 81.28 Favored Pre-proline 0 N--CA 1.438 -1.044 0 CA-C-N 115.581 -0.736 . . . . 100.0 109.401 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -59.46 -34.17 97.24 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 124.336 3.357 . . . . 100.0 113.775 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 88.7 tt0 -74.46 128.09 34.69 Favored 'General case' 0 CA--C 1.497 -1.06 0 N-CA-C 107.022 -1.473 . . . . 100.0 107.022 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -102.53 130.78 49.47 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 122.061 0.934 . . . . 100.0 109.571 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.48 -45.78 91.47 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 113.989 -1.459 . . . . 100.0 112.201 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.34 -42.34 96.3 Favored 'General case' 0 CA--C 1.499 -1.003 0 C-N-CA 123.816 0.846 . . . . 100.0 113.193 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.586 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 69.9 p -85.45 86.48 7.37 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-O 121.97 0.891 . . . . 100.0 110.501 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -91.49 105.25 17.62 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 106.849 -1.537 . . . . 100.0 106.849 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.65 -10.94 63.05 Favored Glycine 0 N--CA 1.434 -1.498 0 CA-C-N 113.745 -1.57 . . . . 100.0 113.586 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.586 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 20.5 mm-40 -68.48 -43.32 77.21 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 118.651 1.225 . . . . 100.0 110.375 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -63.99 -46.14 85.92 Favored 'General case' 0 CA--C 1.499 -1.016 0 C-N-CA 124.01 0.924 . . . . 100.0 110.385 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.2 t70 52.92 41.85 32.03 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 127.246 2.218 . . . . 100.0 110.861 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.1 t -103.85 -48.01 10.17 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 N-CA-C 105.843 -1.91 . . . . 100.0 105.843 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.437 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.374 42.7 m-85 -65.02 -38.01 89.52 Favored 'General case' 0 CA--C 1.489 -1.374 0 N-CA-C 116.928 2.195 . . . . 100.0 116.928 -178.768 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -61.32 -48.68 90.6 Favored Pre-proline 0 C--N 1.358 0.977 0 CA-C-O 116.888 -1.529 . . . . 100.0 111.473 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -77.45 -18.31 13.96 Favored 'Trans proline' 0 C--N 1.378 2.082 0 CA-C-N 122.451 1.911 . . . . 100.0 113.376 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.7 t70 53.35 45.58 28.13 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 126.732 2.013 . . . . 100.0 112.302 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.5 tp -112.95 124.95 53.79 Favored 'General case' 0 N--CA 1.432 -1.328 0 N-CA-C 105.755 -1.943 . . . . 100.0 105.755 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -113.16 124.1 51.76 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 104.263 -2.495 . . . . 100.0 104.263 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.6 mtm -114.92 115.36 26.79 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 106.417 -1.698 . . . . 100.0 106.417 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.478 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 51.0 mt-10 -64.04 -42.38 97.09 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-N 113.966 -1.47 . . . . 100.0 112.314 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.3 t -61.66 -43.88 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.825 0 C-N-CA 125.094 1.357 . . . . 100.0 110.432 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.58 -48.23 89.2 Favored 'Isoleucine or valine' 0 C--N 1.36 1.049 0 CA-C-O 118.593 -0.718 . . . . 100.0 111.069 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.497 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.444 21.5 p90 -69.72 -39.26 76.96 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 116.003 1.853 . . . . 100.0 116.003 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 . . . . . 0 N--CA 1.44 -0.941 0 CA-C-O 122.312 1.053 . . . . 100.0 110.939 -179.058 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.38 0 N-CA-C 110.009 -1.237 . . . . 100.0 110.009 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.04 152.62 47.73 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 113.46 -1.37 . . . . 100.0 108.558 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.5 m -84.38 83.22 8.07 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 105.994 -1.854 . . . . 100.0 105.994 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.68 141.69 46.16 Favored 'General case' 0 N--CA 1.427 -1.621 0 N-CA-C 104.133 -2.543 . . . . 100.0 104.133 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.55 36.42 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.281 -0.872 . . . . 100.0 110.73 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.14 28.66 18.02 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 113.038 -1.892 . . . . 100.0 112.731 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.8 p 51.73 43.37 30.01 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 126.8 2.04 . . . . 100.0 113.056 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -73.21 138.58 45.7 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 107.83 -1.174 . . . . 100.0 107.83 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -77.98 130.18 36.2 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 107.009 -1.478 . . . . 100.0 107.009 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.63 -42.05 99.37 Favored 'General case' 0 CA--C 1.494 -1.177 0 N-CA-C 117.586 2.439 . . . . 100.0 117.586 -177.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.41 ' HG2' HG23 ' A' ' 13' ' ' ILE 0.25 15.5 pm0 -71.19 157.23 38.51 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 122.382 1.087 . . . . 100.0 113.435 -177.768 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -81.79 87.32 6.35 Favored 'General case' 0 N--CA 1.431 -1.403 0 CA-C-N 113.935 -1.484 . . . . 100.0 109.177 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.06 -11.01 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 N-CA-C 119.548 3.166 . . . . 100.0 119.548 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.6 t -64.14 147.36 52.43 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 119.768 1.167 . . . . 100.0 109.178 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.12 92.28 Favored 'General case' 0 CA--C 1.497 -1.079 0 C-N-CA 125.324 1.45 . . . . 100.0 113.119 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.482 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.8 m80 -62.99 -42.31 99.81 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-O 117.253 -1.356 . . . . 100.0 112.918 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 p 164.05 -47.99 0.0 OUTLIER 'General case' 0 C--N 1.377 1.785 0 O-C-N 124.765 1.291 . . . . 100.0 113.215 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.517 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.68 -179.13 7.09 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 116.35 1.981 . . . . 100.0 116.35 -176.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 20' ' ' PHE . 84.8 m -72.48 164.87 25.69 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 119.841 -1.787 . . . . 100.0 109.258 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.42 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.12 -42.69 95.29 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 126.81 2.044 . . . . 100.0 107.994 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.17 -38.91 92.74 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.955 1.702 . . . . 100.0 110.431 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -91.01 12.12 20.77 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 126.562 1.945 . . . . 100.0 112.276 -178.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.86 -41.58 89.41 Favored Pre-proline 0 N--CA 1.441 -0.89 0 CA-C-O 115.392 -2.242 . . . . 100.0 113.283 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.15 -33.78 98.36 Favored 'Trans proline' 0 C--N 1.379 2.174 0 CA-C-N 124.094 2.498 . . . . 100.0 112.442 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.15 -23.51 64.88 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.101 0.96 . . . . 100.0 112.512 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.0 m -61.05 -35.87 78.08 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 125.028 1.331 . . . . 100.0 110.459 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.81 -38.34 85.07 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.028 1.331 . . . . 100.0 110.557 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.5 139.05 56.99 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 106.758 -1.571 . . . . 100.0 106.758 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.402 HD21 ' H ' ' A' ' 49' ' ' LEU . 8.1 mp -94.43 15.13 18.5 Favored 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 114.601 1.334 . . . . 100.0 114.601 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.43 -43.22 96.99 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 125.897 1.679 . . . . 100.0 110.74 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -63.84 -38.77 92.34 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 125.919 1.688 . . . . 100.0 110.131 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.844 ' HA ' ' HE1' ' A' ' 44' ' ' TRP . 70.6 mtt180 -61.82 -41.48 97.84 Favored 'General case' 0 CA--C 1.494 -1.2 0 C-N-CA 124.166 0.987 . . . . 100.0 111.803 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -65.93 147.57 53.16 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.39 -0.967 . . . . 100.0 108.39 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.1 -6.92 64.19 Favored Glycine 0 C--N 1.348 1.237 0 CA-C-O 118.538 -1.146 . . . . 100.0 113.23 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -88.24 138.06 31.78 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 118.802 1.301 . . . . 100.0 108.774 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -61.02 -48.62 80.94 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 124.615 1.166 . . . . 100.0 113.502 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -129.83 125.36 35.51 Favored 'General case' 0 CA--C 1.481 -1.694 0 CA-C-N 118.576 0.625 . . . . 100.0 110.466 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.6 mt -66.6 -39.38 88.34 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 124.435 1.094 . . . . 100.0 109.546 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.77 -23.11 67.05 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 126.507 1.923 . . . . 100.0 114.35 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.401 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 87.2 t80 -61.06 129.42 41.27 Favored 'General case' 0 C--N 1.366 1.304 0 N-CA-C 108.337 -0.986 . . . . 100.0 108.337 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -86.13 126.03 33.92 Favored 'General case' 0 CA--C 1.488 -1.415 0 N-CA-C 114.611 1.337 . . . . 100.0 114.611 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.582 ' HG3' ' HB3' ' A' ' 44' ' ' TRP . 10.9 pt-20 -157.75 -172.92 4.14 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 126.337 1.855 . . . . 100.0 108.568 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.84 -40.48 92.98 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 124.247 1.019 . . . . 100.0 111.657 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.844 ' HE1' ' HA ' ' A' ' 32' ' ' ARG 0.34 74.5 t90 -57.58 137.52 56.26 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 130.46 3.504 . . . . 100.0 106.303 178.519 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -79.56 121.06 82.19 Favored Pre-proline 0 C--N 1.359 0.988 0 N-CA-C 112.213 0.449 . . . . 100.0 112.213 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -60.03 -37.01 87.59 Favored 'Trans proline' 0 C--N 1.372 1.804 0 C-N-CA 124.663 3.575 . . . . 100.0 114.843 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -78.51 128.4 33.51 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 106.522 -1.658 . . . . 100.0 106.522 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.401 ' HA ' HH11 ' A' ' 32' ' ' ARG . 57.0 mt-10 -100.2 131.15 46.31 Favored 'General case' 0 N--CA 1.432 -1.344 0 O-C-N 124.275 0.984 . . . . 100.0 110.22 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.402 ' H ' HD21 ' A' ' 29' ' ' LEU . 73.3 mt -62.86 -44.87 94.98 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 125.098 1.359 . . . . 100.0 112.417 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.38 -44.11 95.68 Favored 'General case' 0 CA--C 1.501 -0.938 0 C-N-CA 124.108 0.963 . . . . 100.0 112.99 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.582 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 26.4 p -87.21 83.21 7.44 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 121.967 0.889 . . . . 100.0 109.102 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -88.74 102.99 15.55 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 108.094 -1.076 . . . . 100.0 108.094 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.08 -11.06 63.72 Favored Glycine 0 N--CA 1.436 -1.36 0 CA-C-N 114.53 -1.213 . . . . 100.0 113.253 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.582 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 63.0 mm-40 -69.83 -41.49 74.89 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 118.47 1.135 . . . . 100.0 110.597 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -62.39 -46.86 86.69 Favored 'General case' 0 CA--C 1.498 -1.036 0 C-N-CA 124.494 1.118 . . . . 100.0 109.413 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.6 t0 52.5 40.24 29.37 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 127.945 2.498 . . . . 100.0 110.743 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -103.88 -47.75 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.908 0 N-CA-C 105.82 -1.918 . . . . 100.0 105.82 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.352 45.6 m-85 -64.45 -38.7 91.93 Favored 'General case' 0 CA--C 1.487 -1.473 0 N-CA-C 116.849 2.166 . . . . 100.0 116.849 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.453 ' HB2' ' HD3' ' A' ' 60' ' ' PRO . 60.2 m-20 -62.0 -48.0 89.61 Favored Pre-proline 0 C--N 1.358 0.943 0 CA-C-O 117.219 -1.372 . . . . 100.0 110.795 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 59' ' ' ASP . 33.1 Cg_exo -71.01 -25.81 22.43 Favored 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 122.12 1.88 . . . . 100.0 113.173 177.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t70 54.66 43.44 30.17 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 127.163 2.185 . . . . 100.0 111.268 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.7 tp -111.87 127.26 55.78 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 106.091 -1.818 . . . . 100.0 106.091 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -110.53 129.2 55.85 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 107.275 -1.38 . . . . 100.0 107.275 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 94.2 mmm -111.62 105.01 13.43 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 103.314 -2.847 . . . . 100.0 103.314 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.471 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 51.3 mt-10 -63.12 -42.95 99.64 Favored 'General case' 0 CA--C 1.492 -1.276 0 N-CA-C 114.767 1.395 . . . . 100.0 114.767 -178.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.6 t -62.24 -42.95 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 C-N-CA 124.516 1.127 . . . . 100.0 109.684 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.1 t -62.26 -49.16 85.1 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 CA-C-O 118.042 -0.98 . . . . 100.0 110.858 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.379 10.2 p90 -69.15 -38.35 78.74 Favored 'General case' 0 C--N 1.362 1.111 0 N-CA-C 115.13 1.529 . . . . 100.0 115.13 -179.483 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 . . . . . 0 N--CA 1.435 -1.197 0 CA-C-O 122.998 1.38 . . . . 100.0 112.31 -178.077 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.339 0 N-CA-C 109.992 -1.243 . . . . 100.0 109.992 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.07 152.6 47.78 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 113.43 -1.385 . . . . 100.0 108.582 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 83.3 m -84.44 83.31 8.04 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 105.956 -1.868 . . . . 100.0 105.956 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.75 141.72 46.22 Favored 'General case' 0 N--CA 1.427 -1.619 0 N-CA-C 104.12 -2.548 . . . . 100.0 104.12 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.57 36.54 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 115.301 -0.863 . . . . 100.0 110.741 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.05 28.73 18.09 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 113.033 -1.894 . . . . 100.0 112.771 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.2 p 51.65 43.41 29.87 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 126.797 2.039 . . . . 100.0 113.063 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.27 138.6 45.6 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 107.808 -1.182 . . . . 100.0 107.808 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.01 130.14 36.13 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 106.971 -1.492 . . . . 100.0 106.971 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.58 -42.02 99.3 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 117.624 2.453 . . . . 100.0 117.624 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.412 ' HG2' HG23 ' A' ' 13' ' ' ILE 0.25 15.5 pm0 -71.15 157.21 38.55 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-O 122.378 1.085 . . . . 100.0 113.43 -177.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.75 87.19 6.34 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 113.974 -1.466 . . . . 100.0 109.255 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.06 -10.93 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 119.56 3.17 . . . . 100.0 119.56 -178.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.1 147.35 52.41 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-N 119.816 1.189 . . . . 100.0 109.198 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.06 92.16 Favored 'General case' 0 CA--C 1.497 -1.085 0 C-N-CA 125.261 1.424 . . . . 100.0 113.167 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.6 m80 -63.08 -42.23 99.59 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 117.254 -1.355 . . . . 100.0 112.93 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.05 -48.02 0.0 OUTLIER 'General case' 0 C--N 1.376 1.76 0 O-C-N 124.713 1.258 . . . . 100.0 113.192 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.515 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.5 mtt -80.67 -179.18 7.11 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 116.314 1.968 . . . . 100.0 116.314 -176.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 20' ' ' PHE . 83.1 m -72.39 164.84 25.68 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 119.747 -1.845 . . . . 100.0 109.296 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.13 -42.63 95.2 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 126.834 2.053 . . . . 100.0 108.018 178.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.22 -38.92 92.78 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.896 1.678 . . . . 100.0 110.385 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -91.0 12.14 20.65 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 126.56 1.944 . . . . 100.0 112.253 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.82 -41.64 89.79 Favored Pre-proline 0 N--CA 1.441 -0.91 0 CA-C-O 115.424 -2.227 . . . . 100.0 113.26 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -59.17 -33.79 98.31 Favored 'Trans proline' 0 C--N 1.38 2.193 0 CA-C-N 124.056 2.484 . . . . 100.0 112.457 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.06 -23.53 64.97 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 124.119 0.968 . . . . 100.0 112.582 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.515 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.5 m -61.07 -35.88 78.13 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 125.058 1.343 . . . . 100.0 110.374 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.86 -38.38 85.36 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.097 1.359 . . . . 100.0 110.551 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.43 139.07 57.09 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 106.807 -1.553 . . . . 100.0 106.807 177.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.47 14.82 19.5 Favored 'General case' 0 N--CA 1.434 -1.275 0 N-CA-C 114.577 1.325 . . . . 100.0 114.577 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.58 -42.1 95.99 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 125.78 1.632 . . . . 100.0 110.939 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -62.04 -43.56 98.57 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 125.357 1.463 . . . . 100.0 110.999 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -63.6 -39.94 95.67 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 124.351 1.061 . . . . 100.0 111.608 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -66.03 149.04 50.87 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 124.183 0.993 . . . . 100.0 109.868 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.34 4.4 66.33 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 119.035 -0.869 . . . . 100.0 113.493 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -99.38 144.48 28.44 Favored 'General case' 0 CA--C 1.493 -1.234 0 CA-C-N 118.139 0.97 . . . . 100.0 110.367 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -59.87 -49.23 78.51 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 125.353 1.461 . . . . 100.0 114.042 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.0 mt -131.91 121.91 24.78 Favored 'General case' 0 CA--C 1.485 -1.552 0 CA-C-N 118.785 0.72 . . . . 100.0 110.441 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.96 -37.64 81.81 Favored 'General case' 0 CA--C 1.499 -1.018 0 C-N-CA 124.217 1.007 . . . . 100.0 110.59 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.59 -24.7 67.7 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 126.498 1.919 . . . . 100.0 112.667 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.525 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 75.3 t80 -61.85 134.1 56.29 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 123.298 0.639 . . . . 100.0 110.45 -178.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -78.83 121.7 25.14 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-O 122.577 1.18 . . . . 100.0 110.742 -177.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -149.46 -177.94 6.14 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 126.849 2.06 . . . . 100.0 107.923 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -61.67 -42.51 99.02 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 124.587 1.155 . . . . 100.0 110.571 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.9 p90 -68.37 154.18 42.3 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-O 121.011 0.434 . . . . 100.0 110.622 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -78.22 124.85 85.73 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-N 115.88 -0.6 . . . . 100.0 109.856 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -59.5 -35.0 96.99 Favored 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 124.646 3.564 . . . . 100.0 114.113 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -75.37 128.56 35.64 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 107.219 -1.401 . . . . 100.0 107.219 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -104.01 129.96 51.65 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 123.669 0.606 . . . . 100.0 110.442 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.2 mt -63.58 -44.23 94.66 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 124.359 1.064 . . . . 100.0 112.439 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.57 -45.01 94.9 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 123.752 0.821 . . . . 100.0 113.208 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.467 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 52.6 p -88.41 84.43 6.82 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 121.757 0.789 . . . . 100.0 109.33 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -93.44 107.95 19.71 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 106.974 -1.491 . . . . 100.0 106.974 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.97 -12.21 62.64 Favored Glycine 0 N--CA 1.432 -1.575 0 CA-C-N 113.576 -1.647 . . . . 100.0 112.717 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.467 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 81.3 mt-10 -71.41 -42.19 68.64 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 118.987 1.393 . . . . 100.0 111.802 178.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -65.11 -41.82 94.57 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-O 118.923 -0.561 . . . . 100.0 112.354 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . 0.281 71.3 m-20 52.71 42.85 31.8 Favored 'General case' 0 C--N 1.364 1.234 0 N-CA-C 114.229 1.196 . . . . 100.0 114.229 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.4 t -104.92 -50.36 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 105.285 -2.117 . . . . 100.0 105.285 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.313 42.7 m-85 -65.72 -38.92 90.49 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.42 2.008 . . . . 100.0 116.42 -178.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -62.24 -47.94 88.75 Favored Pre-proline 0 C--N 1.358 0.952 0 CA-C-O 117.156 -1.402 . . . . 100.0 112.816 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -76.55 -15.4 17.45 Favored 'Trans proline' 0 C--N 1.377 2.056 0 CA-C-N 121.92 1.722 . . . . 100.0 114.318 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 54.38 44.5 28.82 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 124.94 1.296 . . . . 100.0 113.552 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.31 125.24 49.84 Favored 'General case' 0 CA--C 1.494 -1.198 0 N-CA-C 106.999 -1.482 . . . . 100.0 106.999 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -113.34 117.56 32.13 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 103.121 -2.918 . . . . 100.0 103.121 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.4 mtm -120.14 108.91 14.81 Favored 'General case' 0 N--CA 1.432 -1.352 0 N-CA-C 106.094 -1.817 . . . . 100.0 106.094 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.486 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 50.2 mt-10 -64.09 -41.13 97.4 Favored 'General case' 0 CA--C 1.493 -1.235 0 CA-C-N 114.383 -1.28 . . . . 100.0 112.866 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.51 -44.12 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 C-N-CA 124.591 1.156 . . . . 100.0 110.14 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.18 -48.72 87.12 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 CA-C-O 118.383 -0.818 . . . . 100.0 111.163 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.525 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.388 15.7 p90 -69.51 -38.7 77.71 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 115.142 1.534 . . . . 100.0 115.142 -179.584 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 . . . . . 0 N--CA 1.436 -1.146 0 CA-C-O 122.896 1.331 . . . . 100.0 113.206 -178.407 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.362 0 N-CA-C 110.06 -1.216 . . . . 100.0 110.06 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -128.04 152.58 47.78 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 113.429 -1.386 . . . . 100.0 108.546 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.3 m -84.4 83.28 8.05 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 105.952 -1.87 . . . . 100.0 105.952 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.73 141.67 46.25 Favored 'General case' 0 N--CA 1.427 -1.593 0 N-CA-C 104.154 -2.536 . . . . 100.0 104.154 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.57 36.51 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 115.321 -0.854 . . . . 100.0 110.749 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.09 28.66 18.0 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 113.076 -1.875 . . . . 100.0 112.777 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.9 p 51.71 43.39 29.96 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.846 2.058 . . . . 100.0 113.048 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.28 138.57 45.57 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 107.837 -1.171 . . . . 100.0 107.837 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.03 130.21 36.2 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 107.0 -1.482 . . . . 100.0 107.0 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -62.56 -42.06 99.3 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 117.618 2.451 . . . . 100.0 117.618 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.413 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.28 157.27 38.41 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-O 122.399 1.095 . . . . 100.0 113.403 -177.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -81.78 87.25 6.35 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 113.916 -1.493 . . . . 100.0 109.198 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.429 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.07 -10.95 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 N-CA-C 119.5 3.148 . . . . 100.0 119.5 -178.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.06 147.34 52.38 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 119.872 1.214 . . . . 100.0 109.22 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.07 92.46 Favored 'General case' 0 CA--C 1.497 -1.095 0 C-N-CA 125.24 1.416 . . . . 100.0 113.145 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.489 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -63.01 -42.28 99.77 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 117.291 -1.337 . . . . 100.0 112.914 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 p 164.05 -48.06 0.0 OUTLIER 'General case' 0 C--N 1.377 1.782 0 O-C-N 124.691 1.244 . . . . 100.0 113.215 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.518 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.65 -179.15 7.09 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 116.357 1.984 . . . . 100.0 116.357 -176.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 20' ' ' PHE . 84.5 m -72.5 164.83 25.77 Favored 'General case' 0 C--N 1.36 1.023 0 O-C-N 119.818 -1.801 . . . . 100.0 109.266 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.426 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.4 t80 -60.06 -42.65 94.98 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 126.811 2.044 . . . . 100.0 108.029 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.23 -38.9 92.69 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.932 1.693 . . . . 100.0 110.391 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -90.99 12.06 20.91 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 126.541 1.937 . . . . 100.0 112.251 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -58.81 -41.57 89.41 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-O 115.432 -2.223 . . . . 100.0 113.318 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.21 -33.75 98.16 Favored 'Trans proline' 0 C--N 1.379 2.182 0 CA-C-N 124.065 2.487 . . . . 100.0 112.469 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.14 -23.5 64.89 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 124.134 0.973 . . . . 100.0 112.539 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.3 m -61.04 -35.9 78.14 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 125.032 1.333 . . . . 100.0 110.402 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.89 -38.27 85.1 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 124.999 1.319 . . . . 100.0 110.567 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.49 139.05 57.01 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 106.753 -1.573 . . . . 100.0 106.753 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.45 11.35 31.03 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 114.596 1.332 . . . . 100.0 114.596 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -61.83 -38.92 89.98 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 113.449 0.907 . . . . 100.0 113.449 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -61.95 -42.34 99.0 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 124.178 0.991 . . . . 100.0 110.072 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -63.51 -39.96 95.8 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 124.214 1.006 . . . . 100.0 111.086 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -68.33 152.54 45.28 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.395 0.678 . . . . 100.0 110.001 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.88 6.3 63.67 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 115.791 -0.64 . . . . 100.0 112.202 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -103.89 144.67 31.21 Favored 'General case' 0 CA--C 1.494 -1.178 0 CA-C-O 121.628 0.728 . . . . 100.0 109.291 177.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -60.06 -49.22 78.5 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.373 1.469 . . . . 100.0 113.897 -177.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -132.84 125.2 29.47 Favored 'General case' 0 CA--C 1.486 -1.493 0 CA-C-N 118.93 0.786 . . . . 100.0 110.01 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.83 -38.1 85.79 Favored 'General case' 0 CA--C 1.498 -1.05 0 C-N-CA 124.715 1.206 . . . . 100.0 110.393 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.75 -25.02 67.99 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 126.795 2.038 . . . . 100.0 112.902 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -62.12 131.63 50.16 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 123.955 0.902 . . . . 100.0 109.098 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -82.9 123.75 29.69 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 122.325 1.06 . . . . 100.0 112.573 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -148.48 -171.8 3.93 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 127.652 2.381 . . . . 100.0 107.967 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.3 -43.5 96.25 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 125.17 1.388 . . . . 100.0 111.895 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 29.7 p90 -69.95 156.75 38.65 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 122.822 0.449 . . . . 100.0 110.71 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -78.29 124.63 85.67 Favored Pre-proline 0 N--CA 1.443 -0.825 0 N-CA-C 108.979 -0.748 . . . . 100.0 108.979 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -59.35 -36.19 94.92 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 124.386 3.39 . . . . 100.0 113.629 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.7 tt0 -79.22 127.72 32.4 Favored 'General case' 0 CA--C 1.495 -1.142 0 N-CA-C 105.32 -2.104 . . . . 100.0 105.32 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.422 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 60.3 mt-10 -98.72 129.63 45.18 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-O 121.983 0.897 . . . . 100.0 109.706 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.59 -47.38 85.73 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 125.658 1.583 . . . . 100.0 113.616 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.3 -40.86 90.28 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 113.347 0.869 . . . . 100.0 113.347 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.568 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 60.7 p -84.64 83.21 8.1 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-O 121.836 0.827 . . . . 100.0 109.629 -178.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -90.89 106.17 18.33 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 106.478 -1.675 . . . . 100.0 106.478 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.35 -12.76 61.82 Favored Glycine 0 N--CA 1.434 -1.493 0 CA-C-N 113.96 -1.473 . . . . 100.0 113.732 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.568 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 64.8 mt-10 -69.79 -42.18 74.1 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 118.465 1.133 . . . . 100.0 111.029 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -63.84 -43.69 95.41 Favored 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 124.258 1.023 . . . . 100.0 110.903 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.2 t70 53.87 43.04 31.49 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.552 1.941 . . . . 100.0 111.558 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.6 t -102.85 -48.43 10.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 N-CA-C 104.833 -2.284 . . . . 100.0 104.833 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.384 25.5 m-85 -64.52 -38.21 90.24 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 116.532 2.049 . . . . 100.0 116.532 -179.217 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.456 ' HB2' ' HD3' ' A' ' 60' ' ' PRO . 49.9 m-20 -62.06 -47.83 89.8 Favored Pre-proline 0 C--N 1.36 1.038 0 CA-C-O 116.967 -1.492 . . . . 100.0 111.2 178.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.456 ' HD3' ' HB2' ' A' ' 59' ' ' ASP . 32.3 Cg_exo -68.23 -25.32 36.92 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.611 2.207 . . . . 100.0 112.449 177.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 55.81 41.11 30.55 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 127.258 2.223 . . . . 100.0 111.93 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.6 tp -119.07 127.47 53.42 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 106.869 -1.53 . . . . 100.0 106.869 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -112.42 120.91 43.27 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 103.015 -2.958 . . . . 100.0 103.015 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 69.1 mtm -114.11 111.4 21.54 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 106.287 -1.746 . . . . 100.0 106.287 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.505 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 75.7 mt-10 -64.32 -40.52 96.08 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 114.392 -1.276 . . . . 100.0 112.968 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.38 -43.42 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 C-N-CA 124.828 1.251 . . . . 100.0 109.983 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.8 t -61.97 -47.73 91.85 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 CA-C-O 118.798 -0.62 . . . . 100.0 110.988 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.505 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.414 23.9 p90 -69.59 -38.05 77.17 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 115.3 1.593 . . . . 100.0 115.3 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 . . . . . 0 N--CA 1.441 -0.879 0 CA-C-O 122.448 1.118 . . . . 100.0 111.731 -178.214 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.359 0 N-CA-C 110.013 -1.235 . . . . 100.0 110.013 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.07 152.63 47.74 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 113.4 -1.4 . . . . 100.0 108.568 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.3 m -84.42 83.26 8.05 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 105.981 -1.859 . . . . 100.0 105.981 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.73 141.71 46.2 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 104.117 -2.549 . . . . 100.0 104.117 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.82 128.57 36.52 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 115.278 -0.874 . . . . 100.0 110.779 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.06 28.66 18.0 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 113.082 -1.872 . . . . 100.0 112.822 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.1 p 51.68 43.44 29.89 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 126.832 2.053 . . . . 100.0 113.028 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.0 m -73.3 138.55 45.52 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 107.813 -1.18 . . . . 100.0 107.813 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.22 36.21 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 106.991 -1.485 . . . . 100.0 106.991 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -62.61 -41.99 99.32 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 117.627 2.455 . . . . 100.0 117.627 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.409 ' HG2' HG23 ' A' ' 13' ' ' ILE 0.25 15.5 pm0 -71.2 157.24 38.49 Favored 'General case' 0 CA--C 1.498 -1.056 0 CA-C-O 122.39 1.09 . . . . 100.0 113.419 -177.771 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -81.78 87.26 6.35 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 113.964 -1.471 . . . . 100.0 109.238 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.42 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.02 -11.04 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 N-CA-C 119.548 3.166 . . . . 100.0 119.548 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.08 147.33 52.42 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 119.79 1.177 . . . . 100.0 109.186 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.06 92.12 Favored 'General case' 0 CA--C 1.497 -1.095 0 C-N-CA 125.262 1.425 . . . . 100.0 113.184 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -63.13 -42.21 99.47 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 117.253 -1.356 . . . . 100.0 112.909 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.3 p 164.01 -47.97 0.0 OUTLIER 'General case' 0 C--N 1.376 1.759 0 O-C-N 124.666 1.229 . . . . 100.0 113.279 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.518 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.5 mtt -80.73 -179.15 7.12 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 116.35 1.981 . . . . 100.0 116.35 -176.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 20' ' ' PHE . 83.9 m -72.4 164.87 25.64 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 119.773 -1.829 . . . . 100.0 109.292 -178.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.415 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.16 -42.62 95.32 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 126.823 2.049 . . . . 100.0 108.01 178.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.21 -38.92 92.78 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.937 1.695 . . . . 100.0 110.417 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -91.04 12.19 20.59 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.523 1.929 . . . . 100.0 112.265 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.9 -41.54 89.16 Favored Pre-proline 0 N--CA 1.441 -0.912 0 CA-C-O 115.375 -2.25 . . . . 100.0 113.311 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.2 -33.77 98.19 Favored 'Trans proline' 0 C--N 1.378 2.13 0 CA-C-N 124.085 2.495 . . . . 100.0 112.455 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.09 -23.55 64.94 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 124.104 0.961 . . . . 100.0 112.562 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 92.8 m -61.01 -35.9 78.09 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 124.98 1.312 . . . . 100.0 110.455 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.81 -38.34 85.07 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 125.044 1.338 . . . . 100.0 110.58 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.46 139.12 57.04 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 106.768 -1.567 . . . . 100.0 106.768 177.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.54 11.69 30.03 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 114.548 1.314 . . . . 100.0 114.548 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -60.75 -41.08 94.7 Favored 'General case' 0 CA--C 1.501 -0.917 0 C-N-CA 124.493 1.117 . . . . 100.0 111.725 -178.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -63.1 -39.6 95.17 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 125.061 1.344 . . . . 100.0 109.9 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.9 ' HA ' ' HE1' ' A' ' 44' ' ' TRP . 86.2 mtt180 -61.91 -41.83 98.38 Favored 'General case' 0 CA--C 1.493 -1.234 0 C-N-CA 124.325 1.05 . . . . 100.0 112.286 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -66.9 147.26 53.47 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 109.147 -0.686 . . . . 100.0 109.147 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.56 -7.85 68.56 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-O 118.267 -1.296 . . . . 100.0 113.955 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -81.04 149.74 29.13 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 119.247 1.524 . . . . 100.0 110.459 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -60.43 -50.17 74.67 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 113.976 1.102 . . . . 100.0 113.976 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 68' ' ' PHE . 69.2 tp -142.04 129.64 21.46 Favored 'General case' 0 CA--C 1.488 -1.438 0 N-CA-C 107.897 -1.149 . . . . 100.0 107.897 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.15 -40.61 96.52 Favored 'General case' 0 CA--C 1.499 -0.988 0 C-N-CA 124.403 1.081 . . . . 100.0 111.507 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.76 -22.5 66.94 Favored 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.838 1.655 . . . . 100.0 114.635 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.542 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 86.7 t80 -60.86 130.58 47.19 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 109.088 -0.708 . . . . 100.0 109.088 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -87.47 123.9 32.87 Favored 'General case' 0 CA--C 1.487 -1.463 0 CA-C-O 122.901 1.334 . . . . 100.0 113.754 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.622 ' HG3' ' HB3' ' A' ' 44' ' ' TRP . 10.7 pt-20 -153.76 -173.3 4.52 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 112.762 -2.017 . . . . 100.0 106.956 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -61.5 -39.78 92.21 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 123.608 0.763 . . . . 100.0 112.063 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.9 ' HE1' ' HA ' ' A' ' 32' ' ' ARG 0.339 64.9 t90 -57.66 137.34 56.54 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 130.446 3.498 . . . . 100.0 106.161 178.342 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -78.31 120.26 80.46 Favored Pre-proline 0 C--N 1.362 1.15 0 N-CA-C 112.686 0.624 . . . . 100.0 112.686 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -60.78 -36.49 84.06 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 124.301 3.334 . . . . 100.0 114.033 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.8 tt0 -79.9 127.83 32.72 Favored 'General case' 0 CA--C 1.492 -1.256 0 N-CA-C 105.537 -2.023 . . . . 100.0 105.537 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -101.67 130.36 48.01 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 121.642 0.734 . . . . 100.0 109.619 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.8 mt -61.74 -46.38 89.88 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 124.994 1.318 . . . . 100.0 113.002 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.55 -42.73 95.52 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 113.598 0.962 . . . . 100.0 113.598 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 47.8 p -86.32 82.87 7.84 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 121.8 0.81 . . . . 100.0 110.006 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -92.13 107.08 18.95 Favored 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 106.79 -1.559 . . . . 100.0 106.79 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.95 -13.68 60.63 Favored Glycine 0 N--CA 1.433 -1.508 0 CA-C-N 113.906 -1.497 . . . . 100.0 113.269 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.514 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 91.5 mt-10 -70.71 -40.45 72.82 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 118.987 1.394 . . . . 100.0 110.821 178.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -62.46 -44.85 95.42 Favored 'General case' 0 CA--C 1.498 -1.028 0 C-N-CA 125.202 1.401 . . . . 100.0 111.686 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 54.05 41.06 32.17 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 125.231 1.412 . . . . 100.0 112.171 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.6 t -105.87 -51.65 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 N-CA-C 105.846 -1.909 . . . . 100.0 105.846 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.337 26.1 m-85 -65.41 -38.75 90.87 Favored 'General case' 0 CA--C 1.486 -1.487 0 N-CA-C 116.851 2.167 . . . . 100.0 116.851 -178.787 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -61.69 -48.35 90.04 Favored Pre-proline 0 C--N 1.356 0.884 0 CA-C-O 116.861 -1.542 . . . . 100.0 112.337 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -75.04 -18.12 18.9 Favored 'Trans proline' 0 C--N 1.379 2.158 0 CA-C-N 122.308 1.86 . . . . 100.0 112.984 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 54.11 45.12 28.13 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.314 1.846 . . . . 100.0 111.938 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.0 mt -108.15 127.15 53.56 Favored 'General case' 0 CA--C 1.491 -1.293 0 N-CA-C 107.166 -1.42 . . . . 100.0 107.166 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -113.71 118.8 35.35 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 103.084 -2.932 . . . . 100.0 103.084 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.2 mtm -116.26 112.04 21.02 Favored 'General case' 0 CA--C 1.491 -1.315 0 N-CA-C 105.552 -2.018 . . . . 100.0 105.552 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.446 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 63.7 mt-10 -63.93 -42.35 97.38 Favored 'General case' 0 CA--C 1.493 -1.212 0 CA-C-N 114.072 -1.422 . . . . 100.0 112.89 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.39 -44.6 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 C-N-CA 125.029 1.331 . . . . 100.0 110.401 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.2 t -62.42 -48.64 87.37 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 CA-C-O 118.618 -0.706 . . . . 100.0 111.45 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.542 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.372 8.4 p90 -70.1 -39.18 75.69 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 115.092 1.516 . . . . 100.0 115.092 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 . . . . . 0 N--CA 1.437 -1.113 0 CA-C-O 122.304 1.05 . . . . 100.0 113.777 -177.664 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.41 0 N-CA-C 110.064 -1.214 . . . . 100.0 110.064 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -127.96 152.6 47.7 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 113.415 -1.393 . . . . 100.0 108.589 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.1 m -84.42 83.28 8.05 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 105.991 -1.855 . . . . 100.0 105.991 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.75 141.67 46.28 Favored 'General case' 0 N--CA 1.428 -1.566 0 N-CA-C 104.135 -2.543 . . . . 100.0 104.135 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.81 128.53 36.35 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 115.329 -0.85 . . . . 100.0 110.762 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.04 28.72 18.08 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.045 -1.889 . . . . 100.0 112.776 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.3 p 51.73 43.36 30.02 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 126.816 2.047 . . . . 100.0 113.029 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.26 138.58 45.6 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 107.838 -1.171 . . . . 100.0 107.838 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.19 36.18 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 106.942 -1.503 . . . . 100.0 106.942 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.6 -42.0 99.31 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 117.655 2.465 . . . . 100.0 117.655 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.412 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.26 157.25 38.44 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-O 122.398 1.094 . . . . 100.0 113.411 -177.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -81.73 87.28 6.33 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 113.913 -1.494 . . . . 100.0 109.216 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.423 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.09 -10.99 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 N-CA-C 119.499 3.148 . . . . 100.0 119.499 -178.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.11 147.33 52.47 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 119.809 1.186 . . . . 100.0 109.193 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.65 -42.06 91.94 Favored 'General case' 0 CA--C 1.497 -1.087 0 C-N-CA 125.234 1.414 . . . . 100.0 113.203 -176.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.487 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.8 m80 -63.07 -42.26 99.63 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-O 117.281 -1.343 . . . . 100.0 112.868 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.01 -48.05 0.0 OUTLIER 'General case' 0 C--N 1.377 1.788 0 O-C-N 124.673 1.233 . . . . 100.0 113.214 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.517 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.3 mtt -80.62 -179.16 7.08 Favored 'General case' 0 CA--C 1.504 -0.817 0 N-CA-C 116.343 1.979 . . . . 100.0 116.343 -176.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 20' ' ' PHE . 84.6 m -72.46 164.88 25.67 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 119.807 -1.808 . . . . 100.0 109.24 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.4 t80 -60.1 -42.71 95.26 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 126.873 2.069 . . . . 100.0 107.982 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' H ' HG22 ' A' ' 19' ' ' THR . 87.0 tt0 -64.15 -38.99 93.06 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 125.955 1.702 . . . . 100.0 110.374 178.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -90.98 12.15 20.6 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 126.506 1.922 . . . . 100.0 112.277 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -58.84 -41.56 89.33 Favored Pre-proline 0 N--CA 1.44 -0.951 0 CA-C-O 115.432 -2.223 . . . . 100.0 113.328 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -59.22 -33.75 98.1 Favored 'Trans proline' 0 C--N 1.379 2.175 0 CA-C-N 124.081 2.493 . . . . 100.0 112.446 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.07 -23.54 64.96 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 124.138 0.975 . . . . 100.0 112.527 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.3 m -61.07 -35.9 78.18 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.073 1.349 . . . . 100.0 110.385 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.85 -38.35 85.25 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.063 1.345 . . . . 100.0 110.541 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.49 139.08 57.0 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 106.757 -1.572 . . . . 100.0 106.757 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.46 16.47 15.19 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 114.583 1.327 . . . . 100.0 114.583 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -59.99 -45.0 94.15 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 125.436 1.494 . . . . 100.0 111.812 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -61.76 -44.21 97.35 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.034 1.333 . . . . 100.0 111.452 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -63.66 -39.74 95.09 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 126.333 1.853 . . . . 100.0 111.99 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -69.79 148.67 48.84 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 109.024 -0.732 . . . . 100.0 109.024 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.45 -8.36 69.05 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-O 118.435 -1.203 . . . . 100.0 113.137 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -81.58 142.95 32.33 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 118.927 1.363 . . . . 100.0 109.044 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -61.39 -48.33 81.71 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 124.075 0.95 . . . . 100.0 113.546 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.68 124.3 33.27 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 118.729 0.695 . . . . 100.0 110.617 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.9 -39.25 87.38 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 123.838 0.855 . . . . 100.0 110.169 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.71 -24.64 67.77 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 127.029 2.132 . . . . 100.0 113.522 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.439 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 89.0 t80 -60.47 132.96 55.56 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 123.454 0.701 . . . . 100.0 109.807 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -82.89 121.19 26.64 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.842 -1.072 . . . . 100.0 110.15 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.516 ' HG2' ' H ' ' A' ' 43' ' ' GLU . 30.4 tt0 -149.28 -177.4 5.82 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 104.488 -2.412 . . . . 100.0 104.488 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.516 ' H ' ' HG2' ' A' ' 42' ' ' GLU . 86.9 tt0 -61.46 -42.22 98.44 Favored 'General case' 0 C--N 1.356 0.853 0 O-C-N 121.012 -1.055 . . . . 100.0 111.735 -178.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.8 p-90 -65.87 149.42 50.22 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.427 0.691 . . . . 100.0 111.603 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -73.39 122.4 87.53 Favored Pre-proline 0 C--N 1.357 0.907 0 C-N-CA 123.322 0.649 . . . . 100.0 111.859 -177.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -59.79 -37.16 88.44 Favored 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 124.33 3.353 . . . . 100.0 113.934 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -79.46 127.58 32.29 Favored 'General case' 0 CA--C 1.49 -1.334 0 N-CA-C 105.602 -1.999 . . . . 100.0 105.602 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -102.15 133.0 47.71 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 122.054 0.93 . . . . 100.0 112.379 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.4 mt -62.17 -45.99 90.95 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 125.821 1.648 . . . . 100.0 112.578 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.77 -41.29 97.99 Favored 'General case' 0 CA--C 1.494 -1.198 0 C-N-CA 124.141 0.976 . . . . 100.0 112.399 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.475 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 72.6 p -85.05 88.28 7.45 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-O 121.469 0.652 . . . . 100.0 109.558 -178.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -95.12 99.85 11.76 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 104.409 -2.441 . . . . 100.0 104.409 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.51 -10.85 65.49 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 114.381 -1.281 . . . . 100.0 114.313 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.475 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 46.3 mt-10 -69.96 -42.57 73.0 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 118.772 1.286 . . . . 100.0 111.092 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -64.25 -43.89 93.47 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 124.062 0.945 . . . . 100.0 110.503 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.6 t70 52.61 41.67 31.29 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 127.867 2.467 . . . . 100.0 111.181 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.9 t -103.33 -48.2 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 N-CA-C 105.453 -2.054 . . . . 100.0 105.453 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.391 54.8 m-85 -66.01 -37.71 86.61 Favored 'General case' 0 CA--C 1.488 -1.439 0 N-CA-C 117.427 2.38 . . . . 100.0 117.427 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -61.23 -48.58 91.21 Favored Pre-proline 0 C--N 1.358 0.971 0 CA-C-O 116.814 -1.565 . . . . 100.0 111.128 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -74.73 -20.49 17.49 Favored 'Trans proline' 0 C--N 1.381 2.272 0 CA-C-N 122.302 1.858 . . . . 100.0 112.774 177.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.4 t70 53.47 45.33 28.48 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 127.946 2.498 . . . . 100.0 112.296 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.9 mt -110.75 125.68 53.78 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 105.315 -2.106 . . . . 100.0 105.315 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -111.94 123.64 50.67 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 104.646 -2.353 . . . . 100.0 104.646 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 64.3 mtt -111.47 111.04 21.78 Favored 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 105.52 -2.03 . . . . 100.0 105.52 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.426 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 50.7 mt-10 -63.92 -42.02 97.49 Favored 'General case' 0 CA--C 1.493 -1.216 0 CA-C-N 114.22 -1.355 . . . . 100.0 112.815 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.48 -44.36 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 C-N-CA 124.918 1.287 . . . . 100.0 110.344 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.5 t -62.52 -48.36 88.59 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 CA-C-O 118.017 -0.992 . . . . 100.0 111.169 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.439 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.343 6.5 p90 -68.66 -38.07 80.12 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 114.15 1.167 . . . . 100.0 114.15 -179.203 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 . . . . . 0 N--CA 1.436 -1.174 0 CA-C-O 122.838 1.304 . . . . 100.0 113.673 -177.842 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.387 0 N-CA-C 110.045 -1.222 . . . . 100.0 110.045 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.06 152.59 47.78 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 113.432 -1.384 . . . . 100.0 108.527 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.5 m -84.38 83.21 8.07 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 105.991 -1.855 . . . . 100.0 105.991 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.7 141.68 46.2 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 104.13 -2.544 . . . . 100.0 104.13 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.82 128.6 36.67 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 115.314 -0.857 . . . . 100.0 110.788 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.0 28.75 18.11 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 113.028 -1.896 . . . . 100.0 112.77 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 p 51.7 43.38 29.97 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.784 2.034 . . . . 100.0 113.059 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.32 138.56 45.49 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.796 -1.187 . . . . 100.0 107.796 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.01 130.22 36.22 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 106.99 -1.485 . . . . 100.0 106.99 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.59 -42.05 99.33 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 117.606 2.447 . . . . 100.0 117.606 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.415 ' HG2' HG23 ' A' ' 13' ' ' ILE 0.25 15.5 pm0 -71.18 157.21 38.54 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 122.388 1.09 . . . . 100.0 113.404 -177.767 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.75 87.25 6.34 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 113.912 -1.495 . . . . 100.0 109.273 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.09 -10.93 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 N-CA-C 119.502 3.149 . . . . 100.0 119.502 -178.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.13 147.34 52.46 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-N 119.795 1.179 . . . . 100.0 109.202 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.06 92.12 Favored 'General case' 0 CA--C 1.497 -1.084 0 C-N-CA 125.238 1.415 . . . . 100.0 113.139 -176.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -63.02 -42.32 99.78 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-O 117.289 -1.339 . . . . 100.0 112.891 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.03 -48.0 0.0 OUTLIER 'General case' 0 C--N 1.377 1.785 0 O-C-N 124.698 1.249 . . . . 100.0 113.231 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.521 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.3 mtt -80.63 -179.11 7.06 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 116.346 1.98 . . . . 100.0 116.346 -176.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 20' ' ' PHE . 83.4 m -72.51 164.83 25.78 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 119.795 -1.815 . . . . 100.0 109.299 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.421 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.04 -42.69 94.97 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.799 2.04 . . . . 100.0 108.021 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.14 -38.92 92.81 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 125.938 1.695 . . . . 100.0 110.445 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -91.06 12.13 20.83 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.596 1.958 . . . . 100.0 112.264 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.6 89.56 Favored Pre-proline 0 N--CA 1.441 -0.92 0 CA-C-O 115.421 -2.228 . . . . 100.0 113.272 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -59.25 -33.73 97.99 Favored 'Trans proline' 0 C--N 1.38 2.188 0 CA-C-N 124.034 2.476 . . . . 100.0 112.427 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.07 -23.59 64.97 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 124.144 0.978 . . . . 100.0 112.51 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 92.8 m -61.0 -35.93 78.14 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 125.094 1.358 . . . . 100.0 110.406 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.86 -38.32 85.16 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.079 1.351 . . . . 100.0 110.594 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.45 139.08 57.06 Favored 'General case' 0 C--N 1.36 1.043 0 N-CA-C 106.755 -1.572 . . . . 100.0 106.755 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.53 13.24 24.66 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 114.569 1.322 . . . . 100.0 114.569 -178.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -60.52 -42.29 96.15 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.338 1.055 . . . . 100.0 111.084 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -62.74 -43.96 97.44 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 125.414 1.486 . . . . 100.0 111.193 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -64.2 -42.91 96.44 Favored 'General case' 0 CA--C 1.497 -1.06 0 C-N-CA 123.928 0.891 . . . . 100.0 112.403 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -70.72 151.81 44.5 Favored 'General case' 0 CA--C 1.495 -1.149 0 CA-C-O 121.748 0.785 . . . . 100.0 113.078 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.64 7.12 63.4 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 115.12 -0.945 . . . . 100.0 111.745 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -103.68 148.46 26.01 Favored 'General case' 0 CA--C 1.49 -1.338 0 C-N-CA 123.484 0.714 . . . . 100.0 109.492 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -59.02 -49.43 77.92 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 114.906 1.447 . . . . 100.0 114.906 -175.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 68' ' ' PHE . 58.3 tp -138.97 125.0 19.96 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 116.623 -2.031 . . . . 100.0 109.898 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.57 -38.36 89.31 Favored 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 125.403 1.481 . . . . 100.0 111.215 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.32 -23.57 66.83 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 126.749 2.019 . . . . 100.0 112.705 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.566 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 90.6 t80 -62.15 130.47 45.61 Favored 'General case' 0 C--N 1.367 1.336 0 N-CA-C 108.384 -0.969 . . . . 100.0 108.384 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -89.52 122.84 33.08 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-O 122.758 1.266 . . . . 100.0 110.717 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -148.45 -165.88 2.39 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 113.086 -1.87 . . . . 100.0 106.668 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.8 -42.67 98.07 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-O 118.058 -0.972 . . . . 100.0 113.594 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.7 p90 -70.35 156.82 38.79 Favored 'General case' 0 C--N 1.362 1.147 0 CA-C-N 119.351 0.978 . . . . 100.0 111.522 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -76.66 123.1 87.57 Favored Pre-proline 0 N--CA 1.442 -0.842 0 N-CA-C 108.041 -1.096 . . . . 100.0 108.041 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -59.94 -34.63 95.07 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 124.392 3.395 . . . . 100.0 113.782 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -78.37 127.13 31.76 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 105.891 -1.892 . . . . 100.0 105.891 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -97.97 130.14 44.83 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-N 115.426 -0.806 . . . . 100.0 110.306 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -62.6 -46.33 88.78 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 114.535 -1.211 . . . . 100.0 112.994 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.34 -43.12 91.93 Favored 'General case' 0 CA--C 1.497 -1.081 0 N-CA-C 113.842 1.053 . . . . 100.0 113.842 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.528 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 47.4 p -87.28 80.64 8.16 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 121.237 0.541 . . . . 100.0 109.672 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -92.84 109.66 21.1 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 106.922 -1.511 . . . . 100.0 106.922 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.82 -14.55 61.43 Favored Glycine 0 N--CA 1.432 -1.574 0 CA-C-N 113.289 -1.778 . . . . 100.0 113.082 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.528 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 86.1 mt-10 -70.38 -43.11 70.75 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 118.712 1.256 . . . . 100.0 111.726 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -64.92 -43.93 91.18 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 123.658 0.783 . . . . 100.0 109.833 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.8 t70 51.78 43.82 29.75 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 127.86 2.464 . . . . 100.0 111.753 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.3 t -102.32 -48.23 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 N-CA-C 105.21 -2.144 . . . . 100.0 105.21 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.38 57.4 m-85 -65.56 -37.37 86.5 Favored 'General case' 0 N--CA 1.428 -1.573 0 N-CA-C 116.806 2.15 . . . . 100.0 116.806 -178.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -61.36 -48.47 91.02 Favored Pre-proline 0 C--N 1.36 1.048 0 CA-C-O 116.868 -1.539 . . . . 100.0 111.359 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -75.85 -18.87 16.63 Favored 'Trans proline' 0 C--N 1.379 2.146 0 CA-C-N 122.435 1.905 . . . . 100.0 112.741 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.2 t70 53.97 43.58 30.61 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 126.743 2.017 . . . . 100.0 112.985 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.8 tp -109.22 121.14 44.53 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 105.077 -2.194 . . . . 100.0 105.077 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -117.11 124.74 49.95 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 103.474 -2.788 . . . . 100.0 103.474 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 66.6 mtm -114.1 118.57 34.42 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 106.312 -1.736 . . . . 100.0 106.312 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.495 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 54.1 mt-10 -63.25 -43.06 99.06 Favored 'General case' 0 CA--C 1.492 -1.264 0 CA-C-N 114.055 -1.429 . . . . 100.0 113.347 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.53 -43.77 97.47 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 C-N-CA 124.704 1.202 . . . . 100.0 110.257 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.12 -48.07 90.21 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 CA-C-O 118.403 -0.808 . . . . 100.0 110.522 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.566 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.404 12.3 p90 -69.45 -39.19 77.92 Favored 'General case' 0 C--N 1.361 1.087 0 N-CA-C 115.476 1.658 . . . . 100.0 115.476 -179.666 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 N--CA 1.44 -0.968 0 CA-C-O 122.888 1.328 . . . . 100.0 111.585 -178.158 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.349 0 N-CA-C 110.007 -1.237 . . . . 100.0 110.007 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -128.03 152.6 47.74 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 113.404 -1.398 . . . . 100.0 108.552 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.9 m -84.43 83.28 8.05 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 105.989 -1.856 . . . . 100.0 105.989 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.7 141.66 46.23 Favored 'General case' 0 N--CA 1.427 -1.594 0 N-CA-C 104.171 -2.529 . . . . 100.0 104.171 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.79 128.58 36.59 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 115.324 -0.853 . . . . 100.0 110.771 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.01 28.75 18.11 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 113.083 -1.871 . . . . 100.0 112.769 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.2 p 51.61 43.43 29.8 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 126.81 2.044 . . . . 100.0 113.067 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.3 138.59 45.54 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 107.832 -1.173 . . . . 100.0 107.832 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.01 130.24 36.25 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 107.003 -1.48 . . . . 100.0 107.003 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.63 -42.0 99.34 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 117.646 2.461 . . . . 100.0 117.646 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.412 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.2 157.24 38.48 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-O 122.395 1.093 . . . . 100.0 113.447 -177.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.78 87.29 6.35 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 113.961 -1.472 . . . . 100.0 109.221 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.423 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.05 -11.06 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 N-CA-C 119.527 3.158 . . . . 100.0 119.527 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.3 t -64.06 147.29 52.5 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 119.81 1.186 . . . . 100.0 109.228 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.14 92.04 Favored 'General case' 0 CA--C 1.497 -1.07 0 C-N-CA 125.271 1.428 . . . . 100.0 113.152 -176.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.6 m80 -62.99 -42.31 99.81 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-O 117.257 -1.354 . . . . 100.0 112.903 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.6 p 164.04 -48.0 0.0 OUTLIER 'General case' 0 C--N 1.377 1.776 0 O-C-N 124.704 1.253 . . . . 100.0 113.23 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.522 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.65 -179.11 7.07 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 116.325 1.972 . . . . 100.0 116.325 -176.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 20' ' ' PHE . 86.5 m -72.52 164.82 25.79 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 119.814 -1.804 . . . . 100.0 109.244 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.42 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.0 -42.74 94.93 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 126.806 2.043 . . . . 100.0 108.018 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.13 -39.01 93.11 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 125.953 1.701 . . . . 100.0 110.416 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -90.94 12.09 20.69 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 126.548 1.939 . . . . 100.0 112.294 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.53 89.19 Favored Pre-proline 0 N--CA 1.44 -0.941 0 CA-C-O 115.407 -2.235 . . . . 100.0 113.322 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.22 -33.74 98.1 Favored 'Trans proline' 0 C--N 1.379 2.165 0 CA-C-N 124.095 2.498 . . . . 100.0 112.486 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.05 -23.6 64.98 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 124.145 0.978 . . . . 100.0 112.541 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.3 m -61.03 -35.93 78.19 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 125.039 1.336 . . . . 100.0 110.402 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.79 -38.35 85.03 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.024 1.33 . . . . 100.0 110.589 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.47 139.1 57.03 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 106.767 -1.568 . . . . 100.0 106.767 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.509 ' HG ' ' HD2' ' A' ' 32' ' ' ARG . 8.1 mp -94.5 16.95 14.04 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 114.579 1.326 . . . . 100.0 114.579 -178.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -60.63 -43.55 97.39 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.864 1.265 . . . . 100.0 110.702 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.44 -41.47 98.75 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.938 1.695 . . . . 100.0 111.55 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.707 ' HD3' ' HE1' ' A' ' 44' ' ' TRP . 68.4 mtt180 -61.49 -42.34 98.64 Favored 'General case' 0 CA--C 1.496 -1.105 0 C-N-CA 125.3 1.44 . . . . 100.0 111.099 -177.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -70.05 152.21 44.64 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 109.166 -0.679 . . . . 100.0 109.166 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.55 -8.67 66.47 Favored Glycine 0 C--N 1.351 1.368 0 CA-C-O 118.554 -1.136 . . . . 100.0 112.802 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -86.98 142.72 27.75 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 118.777 1.289 . . . . 100.0 108.849 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -61.39 -48.94 78.95 Favored 'General case' 0 N--CA 1.44 -0.965 0 N-CA-C 113.693 0.997 . . . . 100.0 113.693 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 68' ' ' PHE . 63.4 tp -134.08 128.86 35.07 Favored 'General case' 0 CA--C 1.49 -1.336 0 C-N-CA 118.484 -1.286 . . . . 100.0 109.346 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.453 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 94.8 mt -63.17 -40.83 98.68 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 126.296 1.839 . . . . 100.0 111.009 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.42 -22.56 66.96 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 126.08 1.752 . . . . 100.0 114.24 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.5 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 87.4 t80 -58.89 132.21 53.3 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 107.939 -1.134 . . . . 100.0 107.939 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -93.07 124.05 36.77 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-O 122.388 1.09 . . . . 100.0 111.997 -175.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HG3' ' HB3' ' A' ' 44' ' ' TRP . 12.6 pt-20 -153.77 -168.02 2.85 Favored 'General case' 0 N--CA 1.437 -1.082 0 C-N-CA 126.17 1.788 . . . . 100.0 107.259 178.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -60.27 -39.87 88.34 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 124.551 1.141 . . . . 100.0 111.28 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.707 ' HE1' ' HD3' ' A' ' 32' ' ' ARG 0.266 5.6 t90 -55.41 140.06 41.22 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 128.145 2.578 . . . . 100.0 109.37 176.381 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -82.0 121.27 78.91 Favored Pre-proline 0 C--N 1.361 1.082 0 N-CA-C 108.139 -1.06 . . . . 100.0 108.139 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -58.88 -36.87 96.23 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 124.36 3.373 . . . . 100.0 113.708 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 86.5 tt0 -76.08 128.8 35.74 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 106.201 -1.778 . . . . 100.0 106.201 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -101.82 128.54 48.14 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-O 122.049 0.928 . . . . 100.0 109.149 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.73 -47.33 85.74 Favored 'General case' 0 N--CA 1.437 -1.082 0 C-N-CA 125.423 1.489 . . . . 100.0 113.82 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.74 -41.47 87.77 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 113.602 0.964 . . . . 100.0 113.602 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.544 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 42.9 p -85.97 83.77 7.7 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 122.183 0.992 . . . . 100.0 110.048 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -90.97 106.91 18.85 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 107.55 -1.278 . . . . 100.0 107.55 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.85 -14.09 59.44 Favored Glycine 0 N--CA 1.432 -1.582 0 CA-C-N 113.747 -1.569 . . . . 100.0 113.237 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.544 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 83.2 mt-10 -70.16 -41.9 73.22 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 118.487 1.143 . . . . 100.0 111.689 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.25 -45.06 93.33 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.593 1.157 . . . . 100.0 110.131 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.6 t0 53.54 42.27 31.95 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 127.156 2.183 . . . . 100.0 111.971 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.2 t -102.33 -46.6 11.04 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 105.426 -2.064 . . . . 100.0 105.426 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.378 35.6 m-85 -65.41 -38.12 88.98 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 117.029 2.233 . . . . 100.0 117.029 -179.245 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -61.85 -49.06 87.53 Favored Pre-proline 0 C--N 1.357 0.927 0 CA-C-O 116.892 -1.528 . . . . 100.0 111.895 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.76 -24.08 18.54 Favored 'Trans proline' 0 C--N 1.38 2.223 0 CA-C-N 122.421 1.9 . . . . 100.0 112.156 177.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t70 53.38 45.91 27.39 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 127.534 2.333 . . . . 100.0 112.301 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.4 mt -110.37 123.95 50.8 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 105.53 -2.026 . . . . 100.0 105.53 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -115.18 119.7 37.27 Favored 'General case' 0 N--CA 1.434 -1.252 0 N-CA-C 102.97 -2.974 . . . . 100.0 102.97 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 59.3 mtm -114.97 118.34 33.18 Favored 'General case' 0 CA--C 1.492 -1.282 0 N-CA-C 107.778 -1.193 . . . . 100.0 107.778 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.443 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 66.6 mt-10 -63.53 -42.82 98.43 Favored 'General case' 0 CA--C 1.495 -1.141 0 CA-C-N 113.997 -1.456 . . . . 100.0 112.979 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.75 -43.79 97.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 C-N-CA 124.514 1.126 . . . . 100.0 110.12 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.07 -47.74 91.76 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 CA-C-O 118.404 -0.808 . . . . 100.0 110.741 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.514 ' HA ' HD23 ' A' ' 37' ' ' LEU 0.429 9.5 p90 -68.66 -38.57 80.52 Favored 'General case' 0 C--N 1.362 1.152 0 N-CA-C 115.081 1.511 . . . . 100.0 115.081 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 . . . . . 0 N--CA 1.439 -1.003 0 CA-C-O 122.717 1.246 . . . . 100.0 110.896 -178.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.335 0 N-CA-C 110.015 -1.234 . . . . 100.0 110.015 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.04 152.62 47.73 Favored 'General case' 0 CA--C 1.495 -1.166 0 CA-C-N 113.419 -1.391 . . . . 100.0 108.555 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.9 m -84.44 83.23 8.07 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 105.914 -1.884 . . . . 100.0 105.914 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.65 141.68 46.14 Favored 'General case' 0 N--CA 1.427 -1.596 0 N-CA-C 104.184 -2.524 . . . . 100.0 104.184 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.59 36.62 Favored 'General case' 0 N--CA 1.434 -1.256 0 CA-C-N 115.327 -0.851 . . . . 100.0 110.786 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.04 28.69 18.03 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 113.071 -1.877 . . . . 100.0 112.79 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.1 p 51.69 43.44 29.91 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.831 2.053 . . . . 100.0 113.02 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.9 m -73.32 138.6 45.51 Favored 'General case' 0 C--N 1.357 0.929 0 N-CA-C 107.834 -1.173 . . . . 100.0 107.834 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.0 130.26 36.28 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 106.967 -1.494 . . . . 100.0 106.967 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -62.63 -42.03 99.36 Favored 'General case' 0 CA--C 1.495 -1.17 0 N-CA-C 117.581 2.438 . . . . 100.0 117.581 -177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.405 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.24 157.21 38.52 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 122.406 1.098 . . . . 100.0 113.388 -177.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.73 87.24 6.33 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 113.931 -1.486 . . . . 100.0 109.279 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.431 HD11 ' HB2' ' A' ' 20' ' ' PHE . 2.2 pp -84.04 -11.05 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 N-CA-C 119.514 3.153 . . . . 100.0 119.514 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.05 147.35 52.34 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 119.824 1.193 . . . . 100.0 109.195 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.75 -42.08 92.42 Favored 'General case' 0 CA--C 1.497 -1.094 0 C-N-CA 125.285 1.434 . . . . 100.0 113.142 -176.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -62.98 -42.37 99.82 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-O 117.235 -1.364 . . . . 100.0 112.887 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.8 p 164.06 -47.95 0.0 OUTLIER 'General case' 0 C--N 1.376 1.76 0 O-C-N 124.74 1.275 . . . . 100.0 113.211 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.515 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.74 -179.12 7.1 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 116.309 1.966 . . . . 100.0 116.309 -176.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 20' ' ' PHE . 83.1 m -72.41 164.83 25.7 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 119.778 -1.826 . . . . 100.0 109.296 -178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.431 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.4 t80 -60.06 -42.65 94.99 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 126.767 2.027 . . . . 100.0 108.047 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.24 -38.93 92.79 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.961 1.705 . . . . 100.0 110.377 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -90.98 12.14 20.63 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 126.554 1.942 . . . . 100.0 112.275 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.86 -41.51 89.03 Favored Pre-proline 0 N--CA 1.441 -0.911 0 CA-C-O 115.411 -2.233 . . . . 100.0 113.325 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.2 -33.82 98.2 Favored 'Trans proline' 0 C--N 1.38 2.192 0 CA-C-N 124.073 2.49 . . . . 100.0 112.437 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.05 -23.55 64.98 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 124.129 0.972 . . . . 100.0 112.563 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.515 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.4 m -61.07 -35.93 78.28 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 125.055 1.342 . . . . 100.0 110.37 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.4 m -60.81 -38.29 84.87 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 125.04 1.336 . . . . 100.0 110.581 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.56 139.06 56.91 Favored 'General case' 0 C--N 1.36 1.041 0 N-CA-C 106.755 -1.572 . . . . 100.0 106.755 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.46 11.25 31.39 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 114.6 1.333 . . . . 100.0 114.6 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -61.63 -39.25 90.63 Favored 'General case' 0 CA--C 1.5 -0.974 0 C-N-CA 123.267 0.627 . . . . 100.0 112.395 -178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -62.13 -42.36 99.17 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 123.638 0.775 . . . . 100.0 110.742 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -62.62 -39.62 94.38 Favored 'General case' 0 CA--C 1.5 -0.954 0 C-N-CA 124.157 0.983 . . . . 100.0 111.464 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -69.49 151.96 45.42 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.756 -0.831 . . . . 100.0 108.756 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.95 2.34 64.66 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-O 119.274 -0.736 . . . . 100.0 112.243 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -98.65 138.36 35.94 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 107.588 -1.264 . . . . 100.0 107.588 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -60.38 -47.5 85.81 Favored 'General case' 0 N--CA 1.435 -1.198 0 C-N-CA 124.982 1.313 . . . . 100.0 113.01 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -129.97 125.43 35.39 Favored 'General case' 0 CA--C 1.492 -1.252 0 CA-C-N 118.839 0.745 . . . . 100.0 110.514 179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.7 mt -66.1 -39.82 90.28 Favored 'General case' 0 N--CA 1.442 -0.869 0 C-N-CA 125.449 1.5 . . . . 100.0 110.163 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.73 -23.41 67.35 Favored 'General case' 0 CA--C 1.498 -1.044 0 C-N-CA 126.461 1.904 . . . . 100.0 114.278 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.411 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 73.4 t80 -62.44 134.46 56.45 Favored 'General case' 0 C--N 1.36 1.054 0 CA-C-O 121.774 0.797 . . . . 100.0 109.949 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -81.26 119.67 23.93 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-O 122.754 1.264 . . . . 100.0 110.966 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -144.96 179.88 7.06 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 128.328 2.651 . . . . 100.0 106.287 178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -61.39 -42.33 98.55 Favored 'General case' 0 C--N 1.357 0.891 0 C-N-CA 123.965 0.906 . . . . 100.0 110.338 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -65.06 147.24 53.84 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 123.623 0.769 . . . . 100.0 111.545 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -74.01 125.02 90.54 Favored Pre-proline 0 C--N 1.355 0.806 0 CA-C-N 116.03 -0.532 . . . . 100.0 111.028 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -58.37 -37.11 96.47 Favored 'Trans proline' 0 C--N 1.372 1.786 0 C-N-CA 124.383 3.388 . . . . 100.0 114.801 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.477 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.7 tt0 -78.41 128.13 33.19 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 105.716 -1.957 . . . . 100.0 105.716 179.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.402 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 55.3 mt-10 -100.94 131.66 46.72 Favored 'General case' 0 N--CA 1.435 -1.216 0 CA-C-O 121.742 0.782 . . . . 100.0 110.321 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.79 -47.08 86.76 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 124.979 1.311 . . . . 100.0 113.66 -177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.21 -41.79 94.13 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 113.389 0.885 . . . . 100.0 113.389 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.504 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 60.7 p -84.95 82.39 8.47 Favored 'General case' 0 N--CA 1.436 -1.151 0 CA-C-O 121.814 0.816 . . . . 100.0 111.005 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -92.02 106.23 18.3 Favored 'General case' 0 N--CA 1.435 -1.18 0 N-CA-C 106.735 -1.58 . . . . 100.0 106.735 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.05 -13.64 60.9 Favored Glycine 0 N--CA 1.433 -1.513 0 CA-C-N 113.709 -1.587 . . . . 100.0 113.81 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.504 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 75.4 mt-10 -70.33 -41.05 73.76 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 118.4 1.1 . . . . 100.0 110.715 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -62.64 -45.78 91.27 Favored 'General case' 0 CA--C 1.493 -1.214 0 C-N-CA 124.735 1.214 . . . . 100.0 109.845 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.6 t0 53.66 42.43 31.85 Favored 'General case' 0 C--N 1.361 1.106 0 C-N-CA 126.334 1.854 . . . . 100.0 110.521 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.1 t -103.77 -51.5 8.63 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.879 0 N-CA-C 106.535 -1.654 . . . . 100.0 106.535 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.326 25.7 m-85 -64.76 -39.49 93.71 Favored 'General case' 0 CA--C 1.487 -1.45 0 N-CA-C 116.78 2.141 . . . . 100.0 116.78 -178.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -61.72 -48.61 89.26 Favored Pre-proline 0 C--N 1.357 0.932 0 CA-C-O 116.911 -1.519 . . . . 100.0 113.393 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -76.46 -18.27 15.82 Favored 'Trans proline' 0 C--N 1.377 2.072 0 CA-C-N 122.357 1.877 . . . . 100.0 113.28 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 53.76 44.22 29.92 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 126.302 1.841 . . . . 100.0 112.435 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.7 tp -110.65 120.93 44.03 Favored 'General case' 0 N--CA 1.438 -1.046 0 N-CA-C 106.132 -1.803 . . . . 100.0 106.132 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -119.66 125.05 47.76 Favored 'General case' 0 N--CA 1.431 -1.389 0 N-CA-C 105.366 -2.087 . . . . 100.0 105.366 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 61.1 mtm -116.35 114.63 24.57 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 106.625 -1.62 . . . . 100.0 106.625 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.481 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 77.4 mt-10 -64.66 -40.08 94.81 Favored 'General case' 0 CA--C 1.488 -1.439 0 CA-C-N 114.815 -1.084 . . . . 100.0 113.648 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.31 -43.77 97.19 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 C-N-CA 124.086 0.954 . . . . 100.0 109.723 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.3 t -62.07 -48.93 86.21 Favored 'Isoleucine or valine' 0 C--N 1.36 1.05 0 CA-C-O 117.918 -1.039 . . . . 100.0 111.005 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.481 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.382 18.1 p90 -69.22 -39.02 78.82 Favored 'General case' 0 C--N 1.361 1.085 0 N-CA-C 115.028 1.492 . . . . 100.0 115.028 -179.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -81.53 79.94 8.01 Favored 'General case' 0 CA--C 1.495 -1.151 0 CA-C-O 123.185 1.469 . . . . 100.0 114.005 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.1 m -66.53 -40.3 89.07 Favored 'General case' 0 N--CA 1.435 -1.18 0 CA-C-N 113.042 -1.89 . . . . 100.0 106.345 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.26 1.632 0 C-N-CA 124.715 1.206 . . . . 100.0 108.133 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.422 0 N-CA-C 110.033 -1.227 . . . . 100.0 110.033 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -128.02 152.63 47.7 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 113.449 -1.375 . . . . 100.0 108.562 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.6 m -84.39 83.23 8.06 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 106.005 -1.85 . . . . 100.0 106.005 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.67 141.65 46.21 Favored 'General case' 0 N--CA 1.427 -1.618 0 N-CA-C 104.187 -2.523 . . . . 100.0 104.187 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.7 128.52 36.34 Favored 'General case' 0 N--CA 1.435 -1.201 0 CA-C-N 115.334 -0.848 . . . . 100.0 110.79 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.05 28.7 18.05 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 113.096 -1.865 . . . . 100.0 112.811 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.1 p 51.65 43.4 29.87 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.831 2.052 . . . . 100.0 113.049 179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.25 138.61 45.64 Favored 'General case' 0 C--N 1.358 0.948 0 N-CA-C 107.786 -1.19 . . . . 100.0 107.786 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.2 36.18 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 106.964 -1.495 . . . . 100.0 106.964 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.61 -41.95 99.29 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 117.614 2.45 . . . . 100.0 117.614 -177.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.34 157.21 38.48 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-O 122.367 1.08 . . . . 100.0 113.414 -177.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -81.76 87.33 6.34 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 113.98 -1.463 . . . . 100.0 109.173 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.424 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.08 -11.01 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 119.547 3.165 . . . . 100.0 119.547 -178.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.08 147.33 52.44 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 119.826 1.194 . . . . 100.0 109.216 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.03 92.1 Favored 'General case' 0 CA--C 1.497 -1.094 0 C-N-CA 125.286 1.434 . . . . 100.0 113.185 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.49 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.6 m80 -63.13 -42.23 99.45 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-O 117.246 -1.359 . . . . 100.0 112.885 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.4 p 164.06 -48.04 0.0 OUTLIER 'General case' 0 C--N 1.377 1.767 0 O-C-N 124.68 1.237 . . . . 100.0 113.191 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.522 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.65 -179.17 7.09 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 116.3 1.963 . . . . 100.0 116.3 -176.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 20' ' ' PHE . 84.0 m -72.42 164.84 25.7 Favored 'General case' 0 C--N 1.36 1.045 0 O-C-N 119.813 -1.804 . . . . 100.0 109.273 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.11 -42.62 95.13 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 126.814 2.046 . . . . 100.0 108.042 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' H ' HG22 ' A' ' 19' ' ' THR . 87.0 tt0 -64.23 -38.9 92.7 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 125.891 1.676 . . . . 100.0 110.42 178.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -91.05 12.2 20.59 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 126.492 1.917 . . . . 100.0 112.268 -178.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.57 89.37 Favored Pre-proline 0 N--CA 1.44 -0.935 0 CA-C-O 115.447 -2.216 . . . . 100.0 113.344 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.21 -33.77 98.17 Favored 'Trans proline' 0 C--N 1.379 2.181 0 CA-C-N 124.039 2.478 . . . . 100.0 112.451 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.05 -23.62 64.99 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 124.147 0.979 . . . . 100.0 112.547 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 92.9 m -61.0 -35.93 78.15 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 125.059 1.344 . . . . 100.0 110.403 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.78 -38.39 85.16 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.047 1.339 . . . . 100.0 110.554 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.44 139.08 57.07 Favored 'General case' 0 C--N 1.36 1.034 0 N-CA-C 106.746 -1.576 . . . . 100.0 106.746 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.5 17.08 13.77 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 114.617 1.34 . . . . 100.0 114.617 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -59.9 -44.92 93.98 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 125.058 1.343 . . . . 100.0 111.271 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -63.49 -40.59 97.5 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 123.665 0.786 . . . . 100.0 112.812 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -65.01 -40.16 94.49 Favored 'General case' 0 CA--C 1.5 -0.948 0 C-N-CA 124.113 0.965 . . . . 100.0 111.308 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -67.97 151.26 47.38 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.085 0.954 . . . . 100.0 110.671 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.36 -1.65 69.92 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-O 119.005 -0.886 . . . . 100.0 112.339 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -95.47 142.19 28.13 Favored 'General case' 0 CA--C 1.496 -1.132 0 CA-C-N 118.084 0.942 . . . . 100.0 110.079 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -60.01 -48.01 83.48 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 125.202 1.401 . . . . 100.0 113.895 -176.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.7 mt -129.58 124.15 33.09 Favored 'General case' 0 CA--C 1.489 -1.368 0 CA-C-N 119.122 0.874 . . . . 100.0 111.317 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.78 -39.05 84.13 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 124.625 1.17 . . . . 100.0 110.432 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.82 -24.4 67.74 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 125.974 1.709 . . . . 100.0 113.297 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.414 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 63.1 t80 -61.4 134.65 57.15 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 123.891 0.876 . . . . 100.0 110.493 -178.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -78.48 123.56 27.18 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-O 123.126 1.441 . . . . 100.0 112.184 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -146.64 176.63 9.69 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 129.35 3.06 . . . . 100.0 106.941 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -61.39 -40.7 95.3 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 123.791 0.836 . . . . 100.0 110.536 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 41.6 p90 -69.46 156.81 38.26 Favored 'General case' 0 CA--C 1.495 -1.138 0 CA-C-O 121.369 0.604 . . . . 100.0 112.227 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -75.09 124.49 89.42 Favored Pre-proline 0 N--CA 1.439 -1.005 0 CA-C-N 114.697 -1.138 . . . . 100.0 110.158 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -60.33 -34.8 93.2 Favored 'Trans proline' 0 C--N 1.371 1.727 0 C-N-CA 124.568 3.512 . . . . 100.0 112.709 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.477 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.6 tt0 -76.77 128.45 34.66 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 106.022 -1.844 . . . . 100.0 106.022 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.457 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 61.7 mt-10 -100.01 129.5 46.07 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-O 121.891 0.853 . . . . 100.0 109.977 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.4 mt -62.85 -45.94 90.22 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 125.187 1.395 . . . . 100.0 112.871 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.35 -42.74 96.07 Favored 'General case' 0 CA--C 1.496 -1.101 0 C-N-CA 123.965 0.906 . . . . 100.0 113.256 -179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.616 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 24.2 p -86.63 84.94 7.29 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-O 121.909 0.861 . . . . 100.0 110.189 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -91.83 105.95 18.1 Favored 'General case' 0 N--CA 1.433 -1.314 0 N-CA-C 105.973 -1.862 . . . . 100.0 105.973 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.73 -12.62 62.99 Favored Glycine 0 N--CA 1.435 -1.388 0 CA-C-N 113.859 -1.519 . . . . 100.0 113.902 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.616 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 38.6 mt-10 -70.23 -42.43 72.28 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-N 118.552 1.176 . . . . 100.0 111.174 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.28 -44.85 93.91 Favored 'General case' 0 CA--C 1.497 -1.066 0 C-N-CA 124.388 1.075 . . . . 100.0 110.023 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.4 t0 54.04 41.07 32.17 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 127.249 2.22 . . . . 100.0 111.275 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 94.5 t -101.83 -47.61 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 N-CA-C 105.37 -2.085 . . . . 100.0 105.37 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.369 26.1 m-85 -64.39 -38.32 90.63 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 116.771 2.138 . . . . 100.0 116.771 -178.759 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.461 ' HB2' ' HD3' ' A' ' 60' ' ' PRO . 64.5 m-20 -61.91 -48.34 89.18 Favored Pre-proline 0 C--N 1.359 1.016 0 CA-C-O 116.906 -1.521 . . . . 100.0 110.895 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.461 ' HD3' ' HB2' ' A' ' 59' ' ' ASP . 33.6 Cg_exo -70.3 -26.19 25.3 Favored 'Trans proline' 0 C--N 1.383 2.346 0 C-N-CA 122.259 1.972 . . . . 100.0 112.023 177.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.7 t70 55.73 42.42 29.27 Favored 'General case' 0 C--N 1.36 1.058 0 C-N-CA 127.367 2.267 . . . . 100.0 111.709 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.4 mt -115.14 128.07 55.97 Favored 'General case' 0 CA--C 1.491 -1.317 0 N-CA-C 107.095 -1.446 . . . . 100.0 107.095 179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -109.74 121.85 46.16 Favored 'General case' 0 CA--C 1.492 -1.265 0 N-CA-C 104.608 -2.367 . . . . 100.0 104.608 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 89.7 mtp -109.28 109.45 20.37 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 105.761 -1.94 . . . . 100.0 105.761 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.504 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 51.5 mt-10 -64.09 -40.93 97.3 Favored 'General case' 0 CA--C 1.491 -1.291 0 CA-C-N 114.34 -1.3 . . . . 100.0 113.494 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 62.1 t -61.42 -44.26 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 C-N-CA 124.577 1.151 . . . . 100.0 109.968 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.7 t -62.4 -49.39 84.12 Favored 'Isoleucine or valine' 0 C--N 1.361 1.086 0 CA-C-O 118.13 -0.938 . . . . 100.0 110.88 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.444 26.5 p90 -68.74 -38.52 80.22 Favored 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 116.545 2.054 . . . . 100.0 116.545 -179.404 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -82.8 81.41 8.54 Favored 'General case' 0 N--CA 1.437 -1.093 0 CA-C-O 122.528 1.156 . . . . 100.0 111.648 -178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.7 m -65.21 -41.65 94.26 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.567 1.547 . . . . 100.0 107.793 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.5 ' H ' ' CD ' ' A' ' 71' ' ' GLN . 3.0 pm0 . . . . . 0 C--O 1.26 1.617 0 N-CA-C 108.622 -0.881 . . . . 100.0 108.622 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.388 0 N-CA-C 110.052 -1.219 . . . . 100.0 110.052 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.05 152.63 47.72 Favored 'General case' 0 N--CA 1.435 -1.208 0 CA-C-N 113.419 -1.39 . . . . 100.0 108.554 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.9 m -84.4 83.21 8.07 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 106.004 -1.85 . . . . 100.0 106.004 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.66 141.72 46.11 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 104.123 -2.547 . . . . 100.0 104.123 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.86 128.55 36.41 Favored 'General case' 0 N--CA 1.436 -1.168 0 CA-C-N 115.267 -0.879 . . . . 100.0 110.701 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.05 28.76 18.13 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-N 113.001 -1.909 . . . . 100.0 112.78 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.5 p 51.63 43.4 29.85 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 126.84 2.056 . . . . 100.0 113.063 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -73.25 138.59 45.64 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 107.851 -1.166 . . . . 100.0 107.851 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.23 36.23 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 106.976 -1.49 . . . . 100.0 106.976 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.62 -42.0 99.33 Favored 'General case' 0 N--CA 1.437 -1.117 0 N-CA-C 117.594 2.442 . . . . 100.0 117.594 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.419 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.28 157.24 38.45 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-O 122.408 1.099 . . . . 100.0 113.431 -177.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -81.72 87.24 6.33 Favored 'General case' 0 N--CA 1.431 -1.405 0 CA-C-N 113.972 -1.467 . . . . 100.0 109.243 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.419 HG23 ' HG2' ' A' ' 11' ' ' GLN . 2.2 pp -84.02 -10.99 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 N-CA-C 119.541 3.163 . . . . 100.0 119.541 -178.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.17 147.34 52.52 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-N 119.824 1.193 . . . . 100.0 109.199 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.74 -42.09 92.39 Favored 'General case' 0 CA--C 1.497 -1.089 0 C-N-CA 125.279 1.432 . . . . 100.0 113.13 -176.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.5 m80 -63.01 -42.27 99.79 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 117.258 -1.353 . . . . 100.0 112.914 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.02 -47.98 0.0 OUTLIER 'General case' 0 C--N 1.376 1.759 0 O-C-N 124.655 1.222 . . . . 100.0 113.227 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.523 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.71 -179.11 7.09 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 116.347 1.98 . . . . 100.0 116.347 -176.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 20' ' ' PHE . 86.0 m -72.51 164.87 25.72 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 119.833 -1.792 . . . . 100.0 109.282 -178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.423 ' N ' HG22 ' A' ' 19' ' ' THR . 84.5 t80 -60.1 -42.66 95.15 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 126.776 2.03 . . . . 100.0 108.028 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' H ' HG22 ' A' ' 19' ' ' THR . 87.0 tt0 -64.15 -38.96 92.95 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 125.936 1.695 . . . . 100.0 110.428 178.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -90.97 12.08 20.79 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 126.559 1.944 . . . . 100.0 112.283 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.51 89.04 Favored Pre-proline 0 N--CA 1.44 -0.939 0 CA-C-O 115.408 -2.234 . . . . 100.0 113.331 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.21 -33.77 98.16 Favored 'Trans proline' 0 C--N 1.38 2.186 0 CA-C-N 124.071 2.49 . . . . 100.0 112.452 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.06 -23.59 64.98 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 124.137 0.975 . . . . 100.0 112.552 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.2 m -61.06 -35.91 78.2 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 125.069 1.348 . . . . 100.0 110.398 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.4 m -60.76 -38.4 85.12 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 125.068 1.347 . . . . 100.0 110.607 179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.43 139.05 57.08 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 106.779 -1.563 . . . . 100.0 106.779 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.5 15.13 18.66 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 114.566 1.321 . . . . 100.0 114.566 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -59.52 -44.29 93.19 Favored 'General case' 0 CA--C 1.5 -0.97 0 C-N-CA 123.052 0.541 . . . . 100.0 111.891 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -64.25 -41.08 97.12 Favored 'General case' 0 N--CA 1.433 -1.287 0 C-N-CA 123.891 0.876 . . . . 100.0 112.169 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -64.07 -40.67 96.76 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.925 0.89 . . . . 100.0 112.207 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -68.29 150.82 47.78 Favored 'General case' 0 CA--C 1.5 -0.943 0 C-N-CA 124.441 1.096 . . . . 100.0 111.156 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.47 4.21 70.91 Favored Glycine 0 C--N 1.354 1.541 0 CA-C-O 118.907 -0.94 . . . . 100.0 113.468 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -98.25 151.26 20.65 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-N 118.577 1.189 . . . . 100.0 110.56 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -59.0 -50.17 75.12 Favored 'General case' 0 N--CA 1.438 -1.06 0 N-CA-C 115.687 1.736 . . . . 100.0 115.687 -175.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 68' ' ' PHE . 65.6 tp -140.48 127.96 21.4 Favored 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 118.047 -1.461 . . . . 100.0 108.602 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.2 mt -65.23 -39.43 92.73 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 125.116 1.366 . . . . 100.0 111.693 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.96 -23.75 67.56 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.579 1.552 . . . . 100.0 113.145 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.497 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 85.9 t80 -60.99 132.13 52.87 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-O 121.536 0.684 . . . . 100.0 109.814 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -83.27 121.21 26.82 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 114.702 -1.136 . . . . 100.0 110.843 -176.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . 0.31 14.9 pt-20 -152.86 -166.97 2.6 Favored 'General case' 0 N--CA 1.435 -1.184 0 C-N-CA 126.049 1.739 . . . . 100.0 109.114 178.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -58.8 -46.21 88.11 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 114.096 1.147 . . . . 100.0 114.096 -176.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 39.8 p90 -73.45 159.51 33.12 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 112.404 0.52 . . . . 100.0 112.404 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -78.37 127.32 81.28 Favored Pre-proline 0 N--CA 1.438 -1.044 0 CA-C-N 115.581 -0.736 . . . . 100.0 109.401 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -59.46 -34.17 97.24 Favored 'Trans proline' 0 C--N 1.368 1.554 0 C-N-CA 124.336 3.357 . . . . 100.0 113.775 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 88.7 tt0 -74.46 128.09 34.69 Favored 'General case' 0 CA--C 1.497 -1.06 0 N-CA-C 107.022 -1.473 . . . . 100.0 107.022 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -102.53 130.78 49.47 Favored 'General case' 0 N--CA 1.431 -1.413 0 CA-C-O 122.061 0.934 . . . . 100.0 109.571 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 67.7 mt -62.48 -45.78 91.47 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 113.989 -1.459 . . . . 100.0 112.201 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.34 -42.34 96.3 Favored 'General case' 0 CA--C 1.499 -1.003 0 C-N-CA 123.816 0.846 . . . . 100.0 113.193 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.586 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 69.9 p -85.45 86.48 7.37 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-O 121.97 0.891 . . . . 100.0 110.501 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -91.49 105.25 17.62 Favored 'General case' 0 N--CA 1.434 -1.261 0 N-CA-C 106.849 -1.537 . . . . 100.0 106.849 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 85.65 -10.94 63.05 Favored Glycine 0 N--CA 1.434 -1.498 0 CA-C-N 113.745 -1.57 . . . . 100.0 113.586 178.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.586 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 20.5 mm-40 -68.48 -43.32 77.21 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 118.651 1.225 . . . . 100.0 110.375 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -63.99 -46.14 85.92 Favored 'General case' 0 CA--C 1.499 -1.016 0 C-N-CA 124.01 0.924 . . . . 100.0 110.385 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.2 t70 52.92 41.85 32.03 Favored 'General case' 0 C--N 1.36 1.043 0 C-N-CA 127.246 2.218 . . . . 100.0 110.861 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.1 t -103.85 -48.01 10.17 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 N-CA-C 105.843 -1.91 . . . . 100.0 105.843 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.437 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.374 42.7 m-85 -65.02 -38.01 89.52 Favored 'General case' 0 CA--C 1.489 -1.374 0 N-CA-C 116.928 2.195 . . . . 100.0 116.928 -178.768 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -61.32 -48.68 90.6 Favored Pre-proline 0 C--N 1.358 0.977 0 CA-C-O 116.888 -1.529 . . . . 100.0 111.473 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -77.45 -18.31 13.96 Favored 'Trans proline' 0 C--N 1.378 2.082 0 CA-C-N 122.451 1.911 . . . . 100.0 113.376 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.7 t70 53.35 45.58 28.13 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 126.732 2.013 . . . . 100.0 112.302 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 57.5 tp -112.95 124.95 53.79 Favored 'General case' 0 N--CA 1.432 -1.328 0 N-CA-C 105.755 -1.943 . . . . 100.0 105.755 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -113.16 124.1 51.76 Favored 'General case' 0 N--CA 1.435 -1.203 0 N-CA-C 104.263 -2.495 . . . . 100.0 104.263 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 63.6 mtm -114.92 115.36 26.79 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 106.417 -1.698 . . . . 100.0 106.417 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.478 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 51.0 mt-10 -64.04 -42.38 97.09 Favored 'General case' 0 CA--C 1.497 -1.094 0 CA-C-N 113.966 -1.47 . . . . 100.0 112.314 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.3 t -61.66 -43.88 97.81 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.825 0 C-N-CA 125.094 1.357 . . . . 100.0 110.432 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.58 -48.23 89.2 Favored 'Isoleucine or valine' 0 C--N 1.36 1.049 0 CA-C-O 118.593 -0.718 . . . . 100.0 111.069 -179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.497 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.444 21.5 p90 -69.72 -39.26 76.96 Favored 'General case' 0 N--CA 1.437 -1.11 0 N-CA-C 116.003 1.853 . . . . 100.0 116.003 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -84.77 73.04 10.67 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 122.312 1.053 . . . . 100.0 110.939 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 92.0 m -66.65 -40.29 88.6 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 125.768 1.627 . . . . 100.0 108.084 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.262 1.751 0 N-CA-C 106.83 -1.544 . . . . 100.0 106.83 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.38 0 N-CA-C 110.009 -1.237 . . . . 100.0 110.009 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.04 152.62 47.73 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 113.46 -1.37 . . . . 100.0 108.558 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.5 m -84.38 83.22 8.07 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 105.994 -1.854 . . . . 100.0 105.994 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.68 141.69 46.16 Favored 'General case' 0 N--CA 1.427 -1.621 0 N-CA-C 104.133 -2.543 . . . . 100.0 104.133 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.55 36.42 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.281 -0.872 . . . . 100.0 110.73 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.14 28.66 18.02 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 113.038 -1.892 . . . . 100.0 112.731 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.8 p 51.73 43.37 30.01 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 126.8 2.04 . . . . 100.0 113.056 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.1 m -73.21 138.58 45.7 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 107.83 -1.174 . . . . 100.0 107.83 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -77.98 130.18 36.2 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 107.009 -1.478 . . . . 100.0 107.009 -179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.63 -42.05 99.37 Favored 'General case' 0 CA--C 1.494 -1.177 0 N-CA-C 117.586 2.439 . . . . 100.0 117.586 -177.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.41 ' HG2' HG23 ' A' ' 13' ' ' ILE 0.25 15.5 pm0 -71.19 157.23 38.51 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 122.382 1.087 . . . . 100.0 113.435 -177.768 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -81.79 87.32 6.35 Favored 'General case' 0 N--CA 1.431 -1.403 0 CA-C-N 113.935 -1.484 . . . . 100.0 109.177 -179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.06 -11.01 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 N-CA-C 119.548 3.166 . . . . 100.0 119.548 -178.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.6 t -64.14 147.36 52.43 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 119.768 1.167 . . . . 100.0 109.178 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.12 92.28 Favored 'General case' 0 CA--C 1.497 -1.079 0 C-N-CA 125.324 1.45 . . . . 100.0 113.119 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.482 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.8 m80 -62.99 -42.31 99.81 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-O 117.253 -1.356 . . . . 100.0 112.918 179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 p 164.05 -47.99 0.0 OUTLIER 'General case' 0 C--N 1.377 1.785 0 O-C-N 124.765 1.291 . . . . 100.0 113.215 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.517 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.68 -179.13 7.09 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 116.35 1.981 . . . . 100.0 116.35 -176.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 20' ' ' PHE . 84.8 m -72.48 164.87 25.69 Favored 'General case' 0 C--N 1.359 1.018 0 O-C-N 119.841 -1.787 . . . . 100.0 109.258 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.42 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.12 -42.69 95.29 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 126.81 2.044 . . . . 100.0 107.994 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.17 -38.91 92.74 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.955 1.702 . . . . 100.0 110.431 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -91.01 12.12 20.77 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 126.562 1.945 . . . . 100.0 112.276 -178.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.86 -41.58 89.41 Favored Pre-proline 0 N--CA 1.441 -0.89 0 CA-C-O 115.392 -2.242 . . . . 100.0 113.283 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.15 -33.78 98.36 Favored 'Trans proline' 0 C--N 1.379 2.174 0 CA-C-N 124.094 2.498 . . . . 100.0 112.442 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.15 -23.51 64.88 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.101 0.96 . . . . 100.0 112.512 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.0 m -61.05 -35.87 78.08 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 125.028 1.331 . . . . 100.0 110.459 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.81 -38.34 85.07 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.028 1.331 . . . . 100.0 110.557 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.5 139.05 56.99 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 106.758 -1.571 . . . . 100.0 106.758 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.402 HD21 ' H ' ' A' ' 49' ' ' LEU . 8.1 mp -94.43 15.13 18.5 Favored 'General case' 0 N--CA 1.434 -1.227 0 N-CA-C 114.601 1.334 . . . . 100.0 114.601 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.43 -43.22 96.99 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 125.897 1.679 . . . . 100.0 110.74 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -63.84 -38.77 92.34 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 125.919 1.688 . . . . 100.0 110.131 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.844 ' HA ' ' HE1' ' A' ' 44' ' ' TRP . 70.6 mtt180 -61.82 -41.48 97.84 Favored 'General case' 0 CA--C 1.494 -1.2 0 C-N-CA 124.166 0.987 . . . . 100.0 111.803 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -65.93 147.57 53.16 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.39 -0.967 . . . . 100.0 108.39 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.1 -6.92 64.19 Favored Glycine 0 C--N 1.348 1.237 0 CA-C-O 118.538 -1.146 . . . . 100.0 113.23 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -88.24 138.06 31.78 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 118.802 1.301 . . . . 100.0 108.774 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -61.02 -48.62 80.94 Favored 'General case' 0 N--CA 1.438 -1.058 0 C-N-CA 124.615 1.166 . . . . 100.0 113.502 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -129.83 125.36 35.51 Favored 'General case' 0 CA--C 1.481 -1.694 0 CA-C-N 118.576 0.625 . . . . 100.0 110.466 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.6 mt -66.6 -39.38 88.34 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 124.435 1.094 . . . . 100.0 109.546 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.77 -23.11 67.05 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 126.507 1.923 . . . . 100.0 114.35 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.401 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 87.2 t80 -61.06 129.42 41.27 Favored 'General case' 0 C--N 1.366 1.304 0 N-CA-C 108.337 -0.986 . . . . 100.0 108.337 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.2 m-20 -86.13 126.03 33.92 Favored 'General case' 0 CA--C 1.488 -1.415 0 N-CA-C 114.611 1.337 . . . . 100.0 114.611 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.582 ' HG3' ' HB3' ' A' ' 44' ' ' TRP . 10.9 pt-20 -157.75 -172.92 4.14 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 126.337 1.855 . . . . 100.0 108.568 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.84 -40.48 92.98 Favored 'General case' 0 C--N 1.359 1.018 0 C-N-CA 124.247 1.019 . . . . 100.0 111.657 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.844 ' HE1' ' HA ' ' A' ' 32' ' ' ARG 0.34 74.5 t90 -57.58 137.52 56.26 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 130.46 3.504 . . . . 100.0 106.303 178.519 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -79.56 121.06 82.19 Favored Pre-proline 0 C--N 1.359 0.988 0 N-CA-C 112.213 0.449 . . . . 100.0 112.213 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -60.03 -37.01 87.59 Favored 'Trans proline' 0 C--N 1.372 1.804 0 C-N-CA 124.663 3.575 . . . . 100.0 114.843 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -78.51 128.4 33.51 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 106.522 -1.658 . . . . 100.0 106.522 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' HA ' HH11 ' A' ' 32' ' ' ARG . 57.0 mt-10 -100.2 131.15 46.31 Favored 'General case' 0 N--CA 1.432 -1.344 0 O-C-N 124.275 0.984 . . . . 100.0 110.22 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.402 ' H ' HD21 ' A' ' 29' ' ' LEU . 73.3 mt -62.86 -44.87 94.98 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 125.098 1.359 . . . . 100.0 112.417 -179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.38 -44.11 95.68 Favored 'General case' 0 CA--C 1.501 -0.938 0 C-N-CA 124.108 0.963 . . . . 100.0 112.99 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.582 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 26.4 p -87.21 83.21 7.44 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 121.967 0.889 . . . . 100.0 109.102 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -88.74 102.99 15.55 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 108.094 -1.076 . . . . 100.0 108.094 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.08 -11.06 63.72 Favored Glycine 0 N--CA 1.436 -1.36 0 CA-C-N 114.53 -1.213 . . . . 100.0 113.253 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.582 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 63.0 mm-40 -69.83 -41.49 74.89 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 118.47 1.135 . . . . 100.0 110.597 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -62.39 -46.86 86.69 Favored 'General case' 0 CA--C 1.498 -1.036 0 C-N-CA 124.494 1.118 . . . . 100.0 109.413 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.6 t0 52.5 40.24 29.37 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 127.945 2.498 . . . . 100.0 110.743 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.3 t -103.88 -47.75 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.908 0 N-CA-C 105.82 -1.918 . . . . 100.0 105.82 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.352 45.6 m-85 -64.45 -38.7 91.93 Favored 'General case' 0 CA--C 1.487 -1.473 0 N-CA-C 116.849 2.166 . . . . 100.0 116.849 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.453 ' HB2' ' HD3' ' A' ' 60' ' ' PRO . 60.2 m-20 -62.0 -48.0 89.61 Favored Pre-proline 0 C--N 1.358 0.943 0 CA-C-O 117.219 -1.372 . . . . 100.0 110.795 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 59' ' ' ASP . 33.1 Cg_exo -71.01 -25.81 22.43 Favored 'Trans proline' 0 C--N 1.382 2.339 0 C-N-CA 122.12 1.88 . . . . 100.0 113.173 177.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t70 54.66 43.44 30.17 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 127.163 2.185 . . . . 100.0 111.268 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.7 tp -111.87 127.26 55.78 Favored 'General case' 0 N--CA 1.435 -1.199 0 N-CA-C 106.091 -1.818 . . . . 100.0 106.091 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -110.53 129.2 55.85 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 107.275 -1.38 . . . . 100.0 107.275 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 94.2 mmm -111.62 105.01 13.43 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 103.314 -2.847 . . . . 100.0 103.314 178.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.471 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 51.3 mt-10 -63.12 -42.95 99.64 Favored 'General case' 0 CA--C 1.492 -1.276 0 N-CA-C 114.767 1.395 . . . . 100.0 114.767 -178.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.6 t -62.24 -42.95 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 C-N-CA 124.516 1.127 . . . . 100.0 109.684 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.1 t -62.26 -49.16 85.1 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 CA-C-O 118.042 -0.98 . . . . 100.0 110.858 -179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.379 10.2 p90 -69.15 -38.35 78.74 Favored 'General case' 0 C--N 1.362 1.111 0 N-CA-C 115.13 1.529 . . . . 100.0 115.13 -179.483 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -81.8 83.58 7.12 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-O 122.998 1.38 . . . . 100.0 112.31 -178.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.7 m -65.95 -39.97 90.92 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-N 113.278 -1.783 . . . . 100.0 107.092 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.584 HE21 ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.675 0 N-CA-C 107.414 -1.328 . . . . 100.0 107.414 179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.339 0 N-CA-C 109.992 -1.243 . . . . 100.0 109.992 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.07 152.6 47.78 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 113.43 -1.385 . . . . 100.0 108.582 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 83.3 m -84.44 83.31 8.04 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 105.956 -1.868 . . . . 100.0 105.956 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.75 141.72 46.22 Favored 'General case' 0 N--CA 1.427 -1.619 0 N-CA-C 104.12 -2.548 . . . . 100.0 104.12 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.57 36.54 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 115.301 -0.863 . . . . 100.0 110.741 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.05 28.73 18.09 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 113.033 -1.894 . . . . 100.0 112.771 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.2 p 51.65 43.41 29.87 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 126.797 2.039 . . . . 100.0 113.063 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.27 138.6 45.6 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 107.808 -1.182 . . . . 100.0 107.808 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.01 130.14 36.13 Favored 'General case' 0 N--CA 1.438 -1.037 0 N-CA-C 106.971 -1.492 . . . . 100.0 106.971 -179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.58 -42.02 99.3 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 117.624 2.453 . . . . 100.0 117.624 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.412 ' HG2' HG23 ' A' ' 13' ' ' ILE 0.25 15.5 pm0 -71.15 157.21 38.55 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-O 122.378 1.085 . . . . 100.0 113.43 -177.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.75 87.19 6.34 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 113.974 -1.466 . . . . 100.0 109.255 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.06 -10.93 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 119.56 3.17 . . . . 100.0 119.56 -178.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.1 147.35 52.41 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-N 119.816 1.189 . . . . 100.0 109.198 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.06 92.16 Favored 'General case' 0 CA--C 1.497 -1.085 0 C-N-CA 125.261 1.424 . . . . 100.0 113.167 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.6 m80 -63.08 -42.23 99.59 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 117.254 -1.355 . . . . 100.0 112.93 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.05 -48.02 0.0 OUTLIER 'General case' 0 C--N 1.376 1.76 0 O-C-N 124.713 1.258 . . . . 100.0 113.192 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.515 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.5 mtt -80.67 -179.18 7.11 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 116.314 1.968 . . . . 100.0 116.314 -176.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 20' ' ' PHE . 83.1 m -72.39 164.84 25.68 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 119.747 -1.845 . . . . 100.0 109.296 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.13 -42.63 95.2 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 126.834 2.053 . . . . 100.0 108.018 178.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.22 -38.92 92.78 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.896 1.678 . . . . 100.0 110.385 177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -91.0 12.14 20.65 Favored 'General case' 0 C--N 1.353 0.748 0 C-N-CA 126.56 1.944 . . . . 100.0 112.253 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.82 -41.64 89.79 Favored Pre-proline 0 N--CA 1.441 -0.91 0 CA-C-O 115.424 -2.227 . . . . 100.0 113.26 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -59.17 -33.79 98.31 Favored 'Trans proline' 0 C--N 1.38 2.193 0 CA-C-N 124.056 2.484 . . . . 100.0 112.457 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.06 -23.53 64.97 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 124.119 0.968 . . . . 100.0 112.582 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.515 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.5 m -61.07 -35.88 78.13 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 125.058 1.343 . . . . 100.0 110.374 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.86 -38.38 85.36 Favored 'General case' 0 C--N 1.357 0.927 0 C-N-CA 125.097 1.359 . . . . 100.0 110.551 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.43 139.07 57.09 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 106.807 -1.553 . . . . 100.0 106.807 177.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.47 14.82 19.5 Favored 'General case' 0 N--CA 1.434 -1.275 0 N-CA-C 114.577 1.325 . . . . 100.0 114.577 -178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.58 -42.1 95.99 Favored 'General case' 0 CA--C 1.503 -0.834 0 C-N-CA 125.78 1.632 . . . . 100.0 110.939 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -62.04 -43.56 98.57 Favored 'General case' 0 N--CA 1.436 -1.14 0 C-N-CA 125.357 1.463 . . . . 100.0 110.999 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -63.6 -39.94 95.67 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 124.351 1.061 . . . . 100.0 111.608 -179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -66.03 149.04 50.87 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 124.183 0.993 . . . . 100.0 109.868 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.34 4.4 66.33 Favored Glycine 0 C--N 1.353 1.516 0 CA-C-O 119.035 -0.869 . . . . 100.0 113.493 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -99.38 144.48 28.44 Favored 'General case' 0 CA--C 1.493 -1.234 0 CA-C-N 118.139 0.97 . . . . 100.0 110.367 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -59.87 -49.23 78.51 Favored 'General case' 0 N--CA 1.438 -1.038 0 C-N-CA 125.353 1.461 . . . . 100.0 114.042 -177.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.0 mt -131.91 121.91 24.78 Favored 'General case' 0 CA--C 1.485 -1.552 0 CA-C-N 118.785 0.72 . . . . 100.0 110.441 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.6 mt -67.96 -37.64 81.81 Favored 'General case' 0 CA--C 1.499 -1.018 0 C-N-CA 124.217 1.007 . . . . 100.0 110.59 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.59 -24.7 67.7 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 126.498 1.919 . . . . 100.0 112.667 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.525 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 75.3 t80 -61.85 134.1 56.29 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 123.298 0.639 . . . . 100.0 110.45 -178.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -78.83 121.7 25.14 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-O 122.577 1.18 . . . . 100.0 110.742 -177.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -149.46 -177.94 6.14 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 126.849 2.06 . . . . 100.0 107.923 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -61.67 -42.51 99.02 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 124.587 1.155 . . . . 100.0 110.571 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 36.9 p90 -68.37 154.18 42.3 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-O 121.011 0.434 . . . . 100.0 110.622 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -78.22 124.85 85.73 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-N 115.88 -0.6 . . . . 100.0 109.856 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -59.5 -35.0 96.99 Favored 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 124.646 3.564 . . . . 100.0 114.113 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -75.37 128.56 35.64 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 107.219 -1.401 . . . . 100.0 107.219 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -104.01 129.96 51.65 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 123.669 0.606 . . . . 100.0 110.442 -179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.2 mt -63.58 -44.23 94.66 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 124.359 1.064 . . . . 100.0 112.439 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.4 mt -62.57 -45.01 94.9 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 123.752 0.821 . . . . 100.0 113.208 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.467 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 52.6 p -88.41 84.43 6.82 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 121.757 0.789 . . . . 100.0 109.33 -179.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -93.44 107.95 19.71 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 106.974 -1.491 . . . . 100.0 106.974 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.97 -12.21 62.64 Favored Glycine 0 N--CA 1.432 -1.575 0 CA-C-N 113.576 -1.647 . . . . 100.0 112.717 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.467 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 81.3 mt-10 -71.41 -42.19 68.64 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 118.987 1.393 . . . . 100.0 111.802 178.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -65.11 -41.82 94.57 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-O 118.923 -0.561 . . . . 100.0 112.354 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . 0.281 71.3 m-20 52.71 42.85 31.8 Favored 'General case' 0 C--N 1.364 1.234 0 N-CA-C 114.229 1.196 . . . . 100.0 114.229 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.4 t -104.92 -50.36 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 105.285 -2.117 . . . . 100.0 105.285 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.313 42.7 m-85 -65.72 -38.92 90.49 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.42 2.008 . . . . 100.0 116.42 -178.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -62.24 -47.94 88.75 Favored Pre-proline 0 C--N 1.358 0.952 0 CA-C-O 117.156 -1.402 . . . . 100.0 112.816 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -76.55 -15.4 17.45 Favored 'Trans proline' 0 C--N 1.377 2.056 0 CA-C-N 121.92 1.722 . . . . 100.0 114.318 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 54.38 44.5 28.82 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 124.94 1.296 . . . . 100.0 113.552 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.31 125.24 49.84 Favored 'General case' 0 CA--C 1.494 -1.198 0 N-CA-C 106.999 -1.482 . . . . 100.0 106.999 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -113.34 117.56 32.13 Favored 'General case' 0 N--CA 1.434 -1.255 0 N-CA-C 103.121 -2.918 . . . . 100.0 103.121 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.4 mtm -120.14 108.91 14.81 Favored 'General case' 0 N--CA 1.432 -1.352 0 N-CA-C 106.094 -1.817 . . . . 100.0 106.094 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.486 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 50.2 mt-10 -64.09 -41.13 97.4 Favored 'General case' 0 CA--C 1.493 -1.235 0 CA-C-N 114.383 -1.28 . . . . 100.0 112.866 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.51 -44.12 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 C-N-CA 124.591 1.156 . . . . 100.0 110.14 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.18 -48.72 87.12 Favored 'Isoleucine or valine' 0 C--N 1.361 1.083 0 CA-C-O 118.383 -0.818 . . . . 100.0 111.163 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.525 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.388 15.7 p90 -69.51 -38.7 77.71 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 115.142 1.534 . . . . 100.0 115.142 -179.584 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -81.22 84.43 6.58 Favored 'General case' 0 N--CA 1.436 -1.146 0 CA-C-O 122.896 1.331 . . . . 100.0 113.206 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.7 m -65.81 -40.64 92.07 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 113.467 -1.697 . . . . 100.0 107.382 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 . . . . . 0 C--O 1.261 1.673 0 N-CA-C 107.727 -1.212 . . . . 100.0 107.727 179.588 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.362 0 N-CA-C 110.06 -1.216 . . . . 100.0 110.06 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -128.04 152.58 47.78 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 113.429 -1.386 . . . . 100.0 108.546 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.3 m -84.4 83.28 8.05 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 105.952 -1.87 . . . . 100.0 105.952 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.73 141.67 46.25 Favored 'General case' 0 N--CA 1.427 -1.593 0 N-CA-C 104.154 -2.536 . . . . 100.0 104.154 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.85 128.57 36.51 Favored 'General case' 0 N--CA 1.435 -1.213 0 CA-C-N 115.321 -0.854 . . . . 100.0 110.749 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.09 28.66 18.0 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 113.076 -1.875 . . . . 100.0 112.777 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.9 p 51.71 43.39 29.96 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.846 2.058 . . . . 100.0 113.048 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.28 138.57 45.57 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 107.837 -1.171 . . . . 100.0 107.837 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.03 130.21 36.2 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 107.0 -1.482 . . . . 100.0 107.0 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -62.56 -42.06 99.3 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 117.618 2.451 . . . . 100.0 117.618 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.413 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.28 157.27 38.41 Favored 'General case' 0 CA--C 1.498 -1.048 0 CA-C-O 122.399 1.095 . . . . 100.0 113.403 -177.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -81.78 87.25 6.35 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 113.916 -1.493 . . . . 100.0 109.198 -178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.429 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.07 -10.95 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 N-CA-C 119.5 3.148 . . . . 100.0 119.5 -178.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.06 147.34 52.38 Favored 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 119.872 1.214 . . . . 100.0 109.22 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.76 -42.07 92.46 Favored 'General case' 0 CA--C 1.497 -1.095 0 C-N-CA 125.24 1.416 . . . . 100.0 113.145 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.489 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -63.01 -42.28 99.77 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 117.291 -1.337 . . . . 100.0 112.914 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.5 p 164.05 -48.06 0.0 OUTLIER 'General case' 0 C--N 1.377 1.782 0 O-C-N 124.691 1.244 . . . . 100.0 113.215 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.518 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.65 -179.15 7.09 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 116.357 1.984 . . . . 100.0 116.357 -176.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 20' ' ' PHE . 84.5 m -72.5 164.83 25.77 Favored 'General case' 0 C--N 1.36 1.023 0 O-C-N 119.818 -1.801 . . . . 100.0 109.266 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.426 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.4 t80 -60.06 -42.65 94.98 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 126.811 2.044 . . . . 100.0 108.029 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.23 -38.9 92.69 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.932 1.693 . . . . 100.0 110.391 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -90.99 12.06 20.91 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 126.541 1.937 . . . . 100.0 112.251 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -58.81 -41.57 89.41 Favored Pre-proline 0 N--CA 1.441 -0.889 0 CA-C-O 115.432 -2.223 . . . . 100.0 113.318 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.21 -33.75 98.16 Favored 'Trans proline' 0 C--N 1.379 2.182 0 CA-C-N 124.065 2.487 . . . . 100.0 112.469 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.14 -23.5 64.89 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 124.134 0.973 . . . . 100.0 112.539 178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.3 m -61.04 -35.9 78.14 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 125.032 1.333 . . . . 100.0 110.402 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.89 -38.27 85.1 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 124.999 1.319 . . . . 100.0 110.567 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.49 139.05 57.01 Favored 'General case' 0 C--N 1.36 1.032 0 N-CA-C 106.753 -1.573 . . . . 100.0 106.753 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.45 11.35 31.03 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 114.596 1.332 . . . . 100.0 114.596 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -61.83 -38.92 89.98 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 113.449 0.907 . . . . 100.0 113.449 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -61.95 -42.34 99.0 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 124.178 0.991 . . . . 100.0 110.072 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -63.51 -39.96 95.8 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 124.214 1.006 . . . . 100.0 111.086 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -68.33 152.54 45.28 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.395 0.678 . . . . 100.0 110.001 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.88 6.3 63.67 Favored Glycine 0 C--N 1.352 1.432 0 CA-C-N 115.791 -0.64 . . . . 100.0 112.202 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -103.89 144.67 31.21 Favored 'General case' 0 CA--C 1.494 -1.178 0 CA-C-O 121.628 0.728 . . . . 100.0 109.291 177.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -60.06 -49.22 78.5 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.373 1.469 . . . . 100.0 113.897 -177.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -132.84 125.2 29.47 Favored 'General case' 0 CA--C 1.486 -1.493 0 CA-C-N 118.93 0.786 . . . . 100.0 110.01 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.83 -38.1 85.79 Favored 'General case' 0 CA--C 1.498 -1.05 0 C-N-CA 124.715 1.206 . . . . 100.0 110.393 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.75 -25.02 67.99 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 126.795 2.038 . . . . 100.0 112.902 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -62.12 131.63 50.16 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 123.955 0.902 . . . . 100.0 109.098 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -82.9 123.75 29.69 Favored 'General case' 0 N--CA 1.438 -1.03 0 CA-C-O 122.325 1.06 . . . . 100.0 112.573 -176.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -148.48 -171.8 3.93 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 127.652 2.381 . . . . 100.0 107.967 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.3 -43.5 96.25 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 125.17 1.388 . . . . 100.0 111.895 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 29.7 p90 -69.95 156.75 38.65 Favored 'General case' 0 N--CA 1.441 -0.879 0 C-N-CA 122.822 0.449 . . . . 100.0 110.71 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -78.29 124.63 85.67 Favored Pre-proline 0 N--CA 1.443 -0.825 0 N-CA-C 108.979 -0.748 . . . . 100.0 108.979 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -59.35 -36.19 94.92 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 124.386 3.39 . . . . 100.0 113.629 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.7 tt0 -79.22 127.72 32.4 Favored 'General case' 0 CA--C 1.495 -1.142 0 N-CA-C 105.32 -2.104 . . . . 100.0 105.32 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 60.3 mt-10 -98.72 129.63 45.18 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-O 121.983 0.897 . . . . 100.0 109.706 -179.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -61.59 -47.38 85.73 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 125.658 1.583 . . . . 100.0 113.616 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.7 mt -66.3 -40.86 90.28 Favored 'General case' 0 CA--C 1.495 -1.152 0 N-CA-C 113.347 0.869 . . . . 100.0 113.347 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.568 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 60.7 p -84.64 83.21 8.1 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-O 121.836 0.827 . . . . 100.0 109.629 -178.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -90.89 106.17 18.33 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 106.478 -1.675 . . . . 100.0 106.478 -179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.35 -12.76 61.82 Favored Glycine 0 N--CA 1.434 -1.493 0 CA-C-N 113.96 -1.473 . . . . 100.0 113.732 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.568 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 64.8 mt-10 -69.79 -42.18 74.1 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 118.465 1.133 . . . . 100.0 111.029 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -63.84 -43.69 95.41 Favored 'General case' 0 CA--C 1.5 -0.977 0 C-N-CA 124.258 1.023 . . . . 100.0 110.903 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.2 t70 53.87 43.04 31.49 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.552 1.941 . . . . 100.0 111.558 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.6 t -102.85 -48.43 10.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 N-CA-C 104.833 -2.284 . . . . 100.0 104.833 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.384 25.5 m-85 -64.52 -38.21 90.24 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 116.532 2.049 . . . . 100.0 116.532 -179.217 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.456 ' HB2' ' HD3' ' A' ' 60' ' ' PRO . 49.9 m-20 -62.06 -47.83 89.8 Favored Pre-proline 0 C--N 1.36 1.038 0 CA-C-O 116.967 -1.492 . . . . 100.0 111.2 178.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.456 ' HD3' ' HB2' ' A' ' 59' ' ' ASP . 32.3 Cg_exo -68.23 -25.32 36.92 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.611 2.207 . . . . 100.0 112.449 177.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.9 t70 55.81 41.11 30.55 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 127.258 2.223 . . . . 100.0 111.93 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.6 tp -119.07 127.47 53.42 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 106.869 -1.53 . . . . 100.0 106.869 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -112.42 120.91 43.27 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 103.015 -2.958 . . . . 100.0 103.015 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 69.1 mtm -114.11 111.4 21.54 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 106.287 -1.746 . . . . 100.0 106.287 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.505 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 75.7 mt-10 -64.32 -40.52 96.08 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 114.392 -1.276 . . . . 100.0 112.968 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.3 t -61.38 -43.42 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 C-N-CA 124.828 1.251 . . . . 100.0 109.983 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.8 t -61.97 -47.73 91.85 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 CA-C-O 118.798 -0.62 . . . . 100.0 110.988 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.505 ' CE2' ' HA ' ' A' ' 65' ' ' GLU 0.414 23.9 p90 -69.59 -38.05 77.17 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 115.3 1.593 . . . . 100.0 115.3 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -81.44 75.91 8.39 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-O 122.448 1.118 . . . . 100.0 111.731 -178.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.5 m -67.11 -41.56 86.02 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.684 1.194 . . . . 100.0 107.819 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.532 ' NE2' ' H ' ' A' ' 71' ' ' GLN . 2.1 pm0 . . . . . 0 C--O 1.262 1.729 0 C-N-CA 124.402 1.081 . . . . 100.0 108.883 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.359 0 N-CA-C 110.013 -1.235 . . . . 100.0 110.013 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.07 152.63 47.74 Favored 'General case' 0 N--CA 1.434 -1.228 0 CA-C-N 113.4 -1.4 . . . . 100.0 108.568 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.3 m -84.42 83.26 8.05 Favored 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 105.981 -1.859 . . . . 100.0 105.981 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.73 141.71 46.2 Favored 'General case' 0 N--CA 1.427 -1.584 0 N-CA-C 104.117 -2.549 . . . . 100.0 104.117 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.82 128.57 36.52 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 115.278 -0.874 . . . . 100.0 110.779 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.06 28.66 18.0 Favored 'General case' 0 N--CA 1.441 -0.905 0 CA-C-N 113.082 -1.872 . . . . 100.0 112.822 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.1 p 51.68 43.44 29.89 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 126.832 2.053 . . . . 100.0 113.028 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.0 m -73.3 138.55 45.52 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 107.813 -1.18 . . . . 100.0 107.813 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.22 36.21 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 106.991 -1.485 . . . . 100.0 106.991 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -62.61 -41.99 99.32 Favored 'General case' 0 N--CA 1.436 -1.143 0 N-CA-C 117.627 2.455 . . . . 100.0 117.627 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.409 ' HG2' HG23 ' A' ' 13' ' ' ILE 0.25 15.5 pm0 -71.2 157.24 38.49 Favored 'General case' 0 CA--C 1.498 -1.056 0 CA-C-O 122.39 1.09 . . . . 100.0 113.419 -177.771 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -81.78 87.26 6.35 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 113.964 -1.471 . . . . 100.0 109.238 -179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.42 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.02 -11.04 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 N-CA-C 119.548 3.166 . . . . 100.0 119.548 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.4 t -64.08 147.33 52.42 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 119.79 1.177 . . . . 100.0 109.186 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.06 92.12 Favored 'General case' 0 CA--C 1.497 -1.095 0 C-N-CA 125.262 1.425 . . . . 100.0 113.184 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -63.13 -42.21 99.47 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-O 117.253 -1.356 . . . . 100.0 112.909 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.3 p 164.01 -47.97 0.0 OUTLIER 'General case' 0 C--N 1.376 1.759 0 O-C-N 124.666 1.229 . . . . 100.0 113.279 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.518 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.5 mtt -80.73 -179.15 7.12 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 116.35 1.981 . . . . 100.0 116.35 -176.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 20' ' ' PHE . 83.9 m -72.4 164.87 25.64 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 119.773 -1.829 . . . . 100.0 109.292 -178.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.415 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.16 -42.62 95.32 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 126.823 2.049 . . . . 100.0 108.01 178.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.21 -38.92 92.78 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 125.937 1.695 . . . . 100.0 110.417 178.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -91.04 12.19 20.59 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.523 1.929 . . . . 100.0 112.265 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.9 -41.54 89.16 Favored Pre-proline 0 N--CA 1.441 -0.912 0 CA-C-O 115.375 -2.25 . . . . 100.0 113.311 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.2 -33.77 98.19 Favored 'Trans proline' 0 C--N 1.378 2.13 0 CA-C-N 124.085 2.495 . . . . 100.0 112.455 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.09 -23.55 64.94 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 124.104 0.961 . . . . 100.0 112.562 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.518 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 92.8 m -61.01 -35.9 78.09 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 124.98 1.312 . . . . 100.0 110.455 179.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.81 -38.34 85.07 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 125.044 1.338 . . . . 100.0 110.58 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.46 139.12 57.04 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 106.768 -1.567 . . . . 100.0 106.768 177.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.54 11.69 30.03 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 114.548 1.314 . . . . 100.0 114.548 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -60.75 -41.08 94.7 Favored 'General case' 0 CA--C 1.501 -0.917 0 C-N-CA 124.493 1.117 . . . . 100.0 111.725 -178.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -63.1 -39.6 95.17 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 125.061 1.344 . . . . 100.0 109.9 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.9 ' HA ' ' HE1' ' A' ' 44' ' ' TRP . 86.2 mtt180 -61.91 -41.83 98.38 Favored 'General case' 0 CA--C 1.493 -1.234 0 C-N-CA 124.325 1.05 . . . . 100.0 112.286 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -66.9 147.26 53.47 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 109.147 -0.686 . . . . 100.0 109.147 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.56 -7.85 68.56 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-O 118.267 -1.296 . . . . 100.0 113.955 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -81.04 149.74 29.13 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 119.247 1.524 . . . . 100.0 110.459 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -60.43 -50.17 74.67 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 113.976 1.102 . . . . 100.0 113.976 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 68' ' ' PHE . 69.2 tp -142.04 129.64 21.46 Favored 'General case' 0 CA--C 1.488 -1.438 0 N-CA-C 107.897 -1.149 . . . . 100.0 107.897 179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.15 -40.61 96.52 Favored 'General case' 0 CA--C 1.499 -0.988 0 C-N-CA 124.403 1.081 . . . . 100.0 111.507 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.76 -22.5 66.94 Favored 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.838 1.655 . . . . 100.0 114.635 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.542 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 86.7 t80 -60.86 130.58 47.19 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 109.088 -0.708 . . . . 100.0 109.088 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -87.47 123.9 32.87 Favored 'General case' 0 CA--C 1.487 -1.463 0 CA-C-O 122.901 1.334 . . . . 100.0 113.754 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.622 ' HG3' ' HB3' ' A' ' 44' ' ' TRP . 10.7 pt-20 -153.76 -173.3 4.52 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 112.762 -2.017 . . . . 100.0 106.956 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -61.5 -39.78 92.21 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 123.608 0.763 . . . . 100.0 112.063 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.9 ' HE1' ' HA ' ' A' ' 32' ' ' ARG 0.339 64.9 t90 -57.66 137.34 56.54 Favored 'General case' 0 N--CA 1.445 -0.696 0 C-N-CA 130.446 3.498 . . . . 100.0 106.161 178.342 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -78.31 120.26 80.46 Favored Pre-proline 0 C--N 1.362 1.15 0 N-CA-C 112.686 0.624 . . . . 100.0 112.686 -177.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -60.78 -36.49 84.06 Favored 'Trans proline' 0 C--N 1.371 1.743 0 C-N-CA 124.301 3.334 . . . . 100.0 114.033 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 87.8 tt0 -79.9 127.83 32.72 Favored 'General case' 0 CA--C 1.492 -1.256 0 N-CA-C 105.537 -2.023 . . . . 100.0 105.537 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -101.67 130.36 48.01 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 121.642 0.734 . . . . 100.0 109.619 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 71.8 mt -61.74 -46.38 89.88 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 124.994 1.318 . . . . 100.0 113.002 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.55 -42.73 95.52 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 113.598 0.962 . . . . 100.0 113.598 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 47.8 p -86.32 82.87 7.84 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 121.8 0.81 . . . . 100.0 110.006 -178.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -92.13 107.08 18.95 Favored 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 106.79 -1.559 . . . . 100.0 106.79 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.95 -13.68 60.63 Favored Glycine 0 N--CA 1.433 -1.508 0 CA-C-N 113.906 -1.497 . . . . 100.0 113.269 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.514 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 91.5 mt-10 -70.71 -40.45 72.82 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 118.987 1.394 . . . . 100.0 110.821 178.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -62.46 -44.85 95.42 Favored 'General case' 0 CA--C 1.498 -1.028 0 C-N-CA 125.202 1.401 . . . . 100.0 111.686 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 54.05 41.06 32.17 Favored 'General case' 0 C--N 1.363 1.182 0 C-N-CA 125.231 1.412 . . . . 100.0 112.171 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.6 t -105.87 -51.65 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 N-CA-C 105.846 -1.909 . . . . 100.0 105.846 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.337 26.1 m-85 -65.41 -38.75 90.87 Favored 'General case' 0 CA--C 1.486 -1.487 0 N-CA-C 116.851 2.167 . . . . 100.0 116.851 -178.787 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -61.69 -48.35 90.04 Favored Pre-proline 0 C--N 1.356 0.884 0 CA-C-O 116.861 -1.542 . . . . 100.0 112.337 179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -75.04 -18.12 18.9 Favored 'Trans proline' 0 C--N 1.379 2.158 0 CA-C-N 122.308 1.86 . . . . 100.0 112.984 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.8 t70 54.11 45.12 28.13 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.314 1.846 . . . . 100.0 111.938 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.0 mt -108.15 127.15 53.56 Favored 'General case' 0 CA--C 1.491 -1.293 0 N-CA-C 107.166 -1.42 . . . . 100.0 107.166 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -113.71 118.8 35.35 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 103.084 -2.932 . . . . 100.0 103.084 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 67.2 mtm -116.26 112.04 21.02 Favored 'General case' 0 CA--C 1.491 -1.315 0 N-CA-C 105.552 -2.018 . . . . 100.0 105.552 178.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.446 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 63.7 mt-10 -63.93 -42.35 97.38 Favored 'General case' 0 CA--C 1.493 -1.212 0 CA-C-N 114.072 -1.422 . . . . 100.0 112.89 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.39 -44.6 98.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 C-N-CA 125.029 1.331 . . . . 100.0 110.401 -178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.2 t -62.42 -48.64 87.37 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 CA-C-O 118.618 -0.706 . . . . 100.0 111.45 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.542 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.372 8.4 p90 -70.1 -39.18 75.69 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 115.092 1.516 . . . . 100.0 115.092 -179.364 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -82.72 74.54 9.67 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-O 122.304 1.05 . . . . 100.0 113.777 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 85.6 m -69.12 -40.76 78.11 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 105.73 -1.952 . . . . 100.0 105.73 176.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 . . . . . 0 C--O 1.26 1.636 0 C-N-CA 124.956 1.302 . . . . 100.0 107.694 179.077 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.41 0 N-CA-C 110.064 -1.214 . . . . 100.0 110.064 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.9 p -127.96 152.6 47.7 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 113.415 -1.393 . . . . 100.0 108.589 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.1 m -84.42 83.28 8.05 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 105.991 -1.855 . . . . 100.0 105.991 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.75 141.67 46.28 Favored 'General case' 0 N--CA 1.428 -1.566 0 N-CA-C 104.135 -2.543 . . . . 100.0 104.135 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.81 128.53 36.35 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 115.329 -0.85 . . . . 100.0 110.762 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.04 28.72 18.08 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.045 -1.889 . . . . 100.0 112.776 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.3 p 51.73 43.36 30.02 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 126.816 2.047 . . . . 100.0 113.029 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.26 138.58 45.6 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 107.838 -1.171 . . . . 100.0 107.838 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.02 130.19 36.18 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 106.942 -1.503 . . . . 100.0 106.942 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.6 -42.0 99.31 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 117.655 2.465 . . . . 100.0 117.655 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.412 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.26 157.25 38.44 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-O 122.398 1.094 . . . . 100.0 113.411 -177.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -81.73 87.28 6.33 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 113.913 -1.494 . . . . 100.0 109.216 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.423 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.09 -10.99 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 N-CA-C 119.499 3.148 . . . . 100.0 119.499 -178.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.11 147.33 52.47 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 119.809 1.186 . . . . 100.0 109.193 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.65 -42.06 91.94 Favored 'General case' 0 CA--C 1.497 -1.087 0 C-N-CA 125.234 1.414 . . . . 100.0 113.203 -176.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.487 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.8 m80 -63.07 -42.26 99.63 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-O 117.281 -1.343 . . . . 100.0 112.868 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.01 -48.05 0.0 OUTLIER 'General case' 0 C--N 1.377 1.788 0 O-C-N 124.673 1.233 . . . . 100.0 113.214 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.517 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.3 mtt -80.62 -179.16 7.08 Favored 'General case' 0 CA--C 1.504 -0.817 0 N-CA-C 116.343 1.979 . . . . 100.0 116.343 -176.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 20' ' ' PHE . 84.6 m -72.46 164.88 25.67 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 119.807 -1.808 . . . . 100.0 109.24 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.4 t80 -60.1 -42.71 95.26 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 126.873 2.069 . . . . 100.0 107.982 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' H ' HG22 ' A' ' 19' ' ' THR . 87.0 tt0 -64.15 -38.99 93.06 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 125.955 1.702 . . . . 100.0 110.374 178.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -90.98 12.15 20.6 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 126.506 1.922 . . . . 100.0 112.277 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -58.84 -41.56 89.33 Favored Pre-proline 0 N--CA 1.44 -0.951 0 CA-C-O 115.432 -2.223 . . . . 100.0 113.328 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -59.22 -33.75 98.1 Favored 'Trans proline' 0 C--N 1.379 2.175 0 CA-C-N 124.081 2.493 . . . . 100.0 112.446 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.07 -23.54 64.96 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 124.138 0.975 . . . . 100.0 112.527 178.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.3 m -61.07 -35.9 78.18 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 125.073 1.349 . . . . 100.0 110.385 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.85 -38.35 85.25 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.063 1.345 . . . . 100.0 110.541 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.49 139.08 57.0 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 106.757 -1.572 . . . . 100.0 106.757 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.46 16.47 15.19 Favored 'General case' 0 N--CA 1.433 -1.278 0 N-CA-C 114.583 1.327 . . . . 100.0 114.583 -178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -59.99 -45.0 94.15 Favored 'General case' 0 C--N 1.357 0.906 0 C-N-CA 125.436 1.494 . . . . 100.0 111.812 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -61.76 -44.21 97.35 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.034 1.333 . . . . 100.0 111.452 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -63.66 -39.74 95.09 Favored 'General case' 0 N--CA 1.44 -0.944 0 C-N-CA 126.333 1.853 . . . . 100.0 111.99 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -69.79 148.67 48.84 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 109.024 -0.732 . . . . 100.0 109.024 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.45 -8.36 69.05 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-O 118.435 -1.203 . . . . 100.0 113.137 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -81.58 142.95 32.33 Favored 'General case' 0 C--N 1.36 1.028 0 CA-C-N 118.927 1.363 . . . . 100.0 109.044 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -61.39 -48.33 81.71 Favored 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 124.075 0.95 . . . . 100.0 113.546 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.8 mt -129.68 124.3 33.27 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 118.729 0.695 . . . . 100.0 110.617 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.9 -39.25 87.38 Favored 'General case' 0 CA--C 1.501 -0.914 0 C-N-CA 123.838 0.855 . . . . 100.0 110.169 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -62.71 -24.64 67.77 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 127.029 2.132 . . . . 100.0 113.522 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.439 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 89.0 t80 -60.47 132.96 55.56 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 123.454 0.701 . . . . 100.0 109.807 -178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -82.89 121.19 26.64 Favored 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.842 -1.072 . . . . 100.0 110.15 -177.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.516 ' HG2' ' H ' ' A' ' 43' ' ' GLU . 30.4 tt0 -149.28 -177.4 5.82 Favored 'General case' 0 N--CA 1.436 -1.125 0 N-CA-C 104.488 -2.412 . . . . 100.0 104.488 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.516 ' H ' ' HG2' ' A' ' 42' ' ' GLU . 86.9 tt0 -61.46 -42.22 98.44 Favored 'General case' 0 C--N 1.356 0.853 0 O-C-N 121.012 -1.055 . . . . 100.0 111.735 -178.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 59.8 p-90 -65.87 149.42 50.22 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 123.427 0.691 . . . . 100.0 111.603 178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -73.39 122.4 87.53 Favored Pre-proline 0 C--N 1.357 0.907 0 C-N-CA 123.322 0.649 . . . . 100.0 111.859 -177.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -59.79 -37.16 88.44 Favored 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 124.33 3.353 . . . . 100.0 113.934 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -79.46 127.58 32.29 Favored 'General case' 0 CA--C 1.49 -1.334 0 N-CA-C 105.602 -1.999 . . . . 100.0 105.602 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -102.15 133.0 47.71 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 122.054 0.93 . . . . 100.0 112.379 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.4 mt -62.17 -45.99 90.95 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 125.821 1.648 . . . . 100.0 112.578 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.77 -41.29 97.99 Favored 'General case' 0 CA--C 1.494 -1.198 0 C-N-CA 124.141 0.976 . . . . 100.0 112.399 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.475 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 72.6 p -85.05 88.28 7.45 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-O 121.469 0.652 . . . . 100.0 109.558 -178.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -95.12 99.85 11.76 Favored 'General case' 0 N--CA 1.434 -1.244 0 N-CA-C 104.409 -2.441 . . . . 100.0 104.409 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.51 -10.85 65.49 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 114.381 -1.281 . . . . 100.0 114.313 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.475 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 46.3 mt-10 -69.96 -42.57 73.0 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 118.772 1.286 . . . . 100.0 111.092 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -64.25 -43.89 93.47 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 124.062 0.945 . . . . 100.0 110.503 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.6 t70 52.61 41.67 31.29 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 127.867 2.467 . . . . 100.0 111.181 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 77.9 t -103.33 -48.2 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 N-CA-C 105.453 -2.054 . . . . 100.0 105.453 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.391 54.8 m-85 -66.01 -37.71 86.61 Favored 'General case' 0 CA--C 1.488 -1.439 0 N-CA-C 117.427 2.38 . . . . 100.0 117.427 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -61.23 -48.58 91.21 Favored Pre-proline 0 C--N 1.358 0.971 0 CA-C-O 116.814 -1.565 . . . . 100.0 111.128 179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -74.73 -20.49 17.49 Favored 'Trans proline' 0 C--N 1.381 2.272 0 CA-C-N 122.302 1.858 . . . . 100.0 112.774 177.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.4 t70 53.47 45.33 28.48 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 127.946 2.498 . . . . 100.0 112.296 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.9 mt -110.75 125.68 53.78 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 105.315 -2.106 . . . . 100.0 105.315 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -111.94 123.64 50.67 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 104.646 -2.353 . . . . 100.0 104.646 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 64.3 mtt -111.47 111.04 21.78 Favored 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 105.52 -2.03 . . . . 100.0 105.52 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.426 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 50.7 mt-10 -63.92 -42.02 97.49 Favored 'General case' 0 CA--C 1.493 -1.216 0 CA-C-N 114.22 -1.355 . . . . 100.0 112.815 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.48 -44.36 98.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.858 0 C-N-CA 124.918 1.287 . . . . 100.0 110.344 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.5 t -62.52 -48.36 88.59 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 CA-C-O 118.017 -0.992 . . . . 100.0 111.169 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.439 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.343 6.5 p90 -68.66 -38.07 80.12 Favored 'General case' 0 C--N 1.362 1.121 0 N-CA-C 114.15 1.167 . . . . 100.0 114.15 -179.203 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -80.7 81.76 6.87 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-O 122.838 1.304 . . . . 100.0 113.673 -177.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 89.3 m -65.18 -42.49 93.57 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 113.548 -1.66 . . . . 100.0 106.708 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.403 ' H ' ' HG3' ' A' ' 71' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.259 1.558 0 C-N-CA 124.834 1.254 . . . . 100.0 108.41 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.387 0 N-CA-C 110.045 -1.222 . . . . 100.0 110.045 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -128.06 152.59 47.78 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 113.432 -1.384 . . . . 100.0 108.527 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.5 m -84.38 83.21 8.07 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 105.991 -1.855 . . . . 100.0 105.991 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.7 141.68 46.2 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 104.13 -2.544 . . . . 100.0 104.13 179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.82 128.6 36.67 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 115.314 -0.857 . . . . 100.0 110.788 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.0 28.75 18.11 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 113.028 -1.896 . . . . 100.0 112.77 -179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.0 p 51.7 43.38 29.97 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 126.784 2.034 . . . . 100.0 113.059 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.32 138.56 45.49 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.796 -1.187 . . . . 100.0 107.796 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.01 130.22 36.22 Favored 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 106.99 -1.485 . . . . 100.0 106.99 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.59 -42.05 99.33 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 117.606 2.447 . . . . 100.0 117.606 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.415 ' HG2' HG23 ' A' ' 13' ' ' ILE 0.25 15.5 pm0 -71.18 157.21 38.54 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 122.388 1.09 . . . . 100.0 113.404 -177.767 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.75 87.25 6.34 Favored 'General case' 0 N--CA 1.431 -1.398 0 CA-C-N 113.912 -1.495 . . . . 100.0 109.273 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.426 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.09 -10.93 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.814 0 N-CA-C 119.502 3.149 . . . . 100.0 119.502 -178.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.13 147.34 52.46 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-N 119.795 1.179 . . . . 100.0 109.202 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.69 -42.06 92.12 Favored 'General case' 0 CA--C 1.497 -1.084 0 C-N-CA 125.238 1.415 . . . . 100.0 113.139 -176.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.486 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.7 m80 -63.02 -42.32 99.78 Favored 'General case' 0 N--CA 1.439 -1.025 0 CA-C-O 117.289 -1.339 . . . . 100.0 112.891 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.7 p 164.03 -48.0 0.0 OUTLIER 'General case' 0 C--N 1.377 1.785 0 O-C-N 124.698 1.249 . . . . 100.0 113.231 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.521 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.3 mtt -80.63 -179.11 7.06 Favored 'General case' 0 CA--C 1.503 -0.853 0 N-CA-C 116.346 1.98 . . . . 100.0 116.346 -176.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 20' ' ' PHE . 83.4 m -72.51 164.83 25.78 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 119.795 -1.815 . . . . 100.0 109.299 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.421 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.04 -42.69 94.97 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.799 2.04 . . . . 100.0 108.021 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.14 -38.92 92.81 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 125.938 1.695 . . . . 100.0 110.445 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -91.06 12.13 20.83 Favored 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.596 1.958 . . . . 100.0 112.264 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.6 89.56 Favored Pre-proline 0 N--CA 1.441 -0.92 0 CA-C-O 115.421 -2.228 . . . . 100.0 113.272 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -59.25 -33.73 97.99 Favored 'Trans proline' 0 C--N 1.38 2.188 0 CA-C-N 124.034 2.476 . . . . 100.0 112.427 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.07 -23.59 64.97 Favored 'General case' 0 C--N 1.358 0.95 0 C-N-CA 124.144 0.978 . . . . 100.0 112.51 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 92.8 m -61.0 -35.93 78.14 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 125.094 1.358 . . . . 100.0 110.406 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.2 m -60.86 -38.32 85.16 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.079 1.351 . . . . 100.0 110.594 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.45 139.08 57.06 Favored 'General case' 0 C--N 1.36 1.043 0 N-CA-C 106.755 -1.572 . . . . 100.0 106.755 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.1 mp -94.53 13.24 24.66 Favored 'General case' 0 N--CA 1.433 -1.292 0 N-CA-C 114.569 1.322 . . . . 100.0 114.569 -178.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -60.52 -42.29 96.15 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 124.338 1.055 . . . . 100.0 111.084 -177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -62.74 -43.96 97.44 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 125.414 1.486 . . . . 100.0 111.193 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -64.2 -42.91 96.44 Favored 'General case' 0 CA--C 1.497 -1.06 0 C-N-CA 123.928 0.891 . . . . 100.0 112.403 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -70.72 151.81 44.5 Favored 'General case' 0 CA--C 1.495 -1.149 0 CA-C-O 121.748 0.785 . . . . 100.0 113.078 -179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.64 7.12 63.4 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 115.12 -0.945 . . . . 100.0 111.745 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -103.68 148.46 26.01 Favored 'General case' 0 CA--C 1.49 -1.338 0 C-N-CA 123.484 0.714 . . . . 100.0 109.492 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -59.02 -49.43 77.92 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 114.906 1.447 . . . . 100.0 114.906 -175.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 68' ' ' PHE . 58.3 tp -138.97 125.0 19.96 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 116.623 -2.031 . . . . 100.0 109.898 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.4 mt -65.57 -38.36 89.31 Favored 'General case' 0 CA--C 1.496 -1.118 0 C-N-CA 125.403 1.481 . . . . 100.0 111.215 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.32 -23.57 66.83 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 126.749 2.019 . . . . 100.0 112.705 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.566 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 90.6 t80 -62.15 130.47 45.61 Favored 'General case' 0 C--N 1.367 1.336 0 N-CA-C 108.384 -0.969 . . . . 100.0 108.384 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -89.52 122.84 33.08 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-O 122.758 1.266 . . . . 100.0 110.717 -177.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -148.45 -165.88 2.39 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 113.086 -1.87 . . . . 100.0 106.668 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -60.8 -42.67 98.07 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-O 118.058 -0.972 . . . . 100.0 113.594 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 13.7 p90 -70.35 156.82 38.79 Favored 'General case' 0 C--N 1.362 1.147 0 CA-C-N 119.351 0.978 . . . . 100.0 111.522 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -76.66 123.1 87.57 Favored Pre-proline 0 N--CA 1.442 -0.842 0 N-CA-C 108.041 -1.096 . . . . 100.0 108.041 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -59.94 -34.63 95.07 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 124.392 3.395 . . . . 100.0 113.782 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -78.37 127.13 31.76 Favored 'General case' 0 N--CA 1.436 -1.134 0 N-CA-C 105.891 -1.892 . . . . 100.0 105.891 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -97.97 130.14 44.83 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-N 115.426 -0.806 . . . . 100.0 110.306 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.5 mt -62.6 -46.33 88.78 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 114.535 -1.211 . . . . 100.0 112.994 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.34 -43.12 91.93 Favored 'General case' 0 CA--C 1.497 -1.081 0 N-CA-C 113.842 1.053 . . . . 100.0 113.842 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.528 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 47.4 p -87.28 80.64 8.16 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-O 121.237 0.541 . . . . 100.0 109.672 -178.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -92.84 109.66 21.1 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 106.922 -1.511 . . . . 100.0 106.922 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.82 -14.55 61.43 Favored Glycine 0 N--CA 1.432 -1.574 0 CA-C-N 113.289 -1.778 . . . . 100.0 113.082 179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.528 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 86.1 mt-10 -70.38 -43.11 70.75 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 118.712 1.256 . . . . 100.0 111.726 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -64.92 -43.93 91.18 Favored 'General case' 0 C--N 1.358 0.955 0 C-N-CA 123.658 0.783 . . . . 100.0 109.833 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.8 t70 51.78 43.82 29.75 Favored 'General case' 0 C--N 1.361 1.088 0 C-N-CA 127.86 2.464 . . . . 100.0 111.753 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.3 t -102.32 -48.23 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 N-CA-C 105.21 -2.144 . . . . 100.0 105.21 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . 0.38 57.4 m-85 -65.56 -37.37 86.5 Favored 'General case' 0 N--CA 1.428 -1.573 0 N-CA-C 116.806 2.15 . . . . 100.0 116.806 -178.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -61.36 -48.47 91.02 Favored Pre-proline 0 C--N 1.36 1.048 0 CA-C-O 116.868 -1.539 . . . . 100.0 111.359 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -75.85 -18.87 16.63 Favored 'Trans proline' 0 C--N 1.379 2.146 0 CA-C-N 122.435 1.905 . . . . 100.0 112.741 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.2 t70 53.97 43.58 30.61 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 126.743 2.017 . . . . 100.0 112.985 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.8 tp -109.22 121.14 44.53 Favored 'General case' 0 N--CA 1.434 -1.269 0 N-CA-C 105.077 -2.194 . . . . 100.0 105.077 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -117.11 124.74 49.95 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 103.474 -2.788 . . . . 100.0 103.474 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 66.6 mtm -114.1 118.57 34.42 Favored 'General case' 0 N--CA 1.433 -1.304 0 N-CA-C 106.312 -1.736 . . . . 100.0 106.312 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.495 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 54.1 mt-10 -63.25 -43.06 99.06 Favored 'General case' 0 CA--C 1.492 -1.264 0 CA-C-N 114.055 -1.429 . . . . 100.0 113.347 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.7 t -61.53 -43.77 97.47 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 C-N-CA 124.704 1.202 . . . . 100.0 110.257 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.0 t -62.12 -48.07 90.21 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 CA-C-O 118.403 -0.808 . . . . 100.0 110.522 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.566 ' HB2' ' HA ' ' A' ' 40' ' ' TYR 0.404 12.3 p90 -69.45 -39.19 77.92 Favored 'General case' 0 C--N 1.361 1.087 0 N-CA-C 115.476 1.658 . . . . 100.0 115.476 -179.666 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -81.72 76.79 8.62 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 122.888 1.328 . . . . 100.0 111.585 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.5 m -66.42 -40.93 89.83 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 126.076 1.75 . . . . 100.0 107.438 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.544 ' H ' ' CD ' ' A' ' 71' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--O 1.261 1.698 0 N-CA-C 108.085 -1.08 . . . . 100.0 108.085 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.349 0 N-CA-C 110.007 -1.237 . . . . 100.0 110.007 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.7 p -128.03 152.6 47.74 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 113.404 -1.398 . . . . 100.0 108.552 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 80.9 m -84.43 83.28 8.05 Favored 'General case' 0 N--CA 1.434 -1.233 0 N-CA-C 105.989 -1.856 . . . . 100.0 105.989 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.7 141.66 46.23 Favored 'General case' 0 N--CA 1.427 -1.594 0 N-CA-C 104.171 -2.529 . . . . 100.0 104.171 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.79 128.58 36.59 Favored 'General case' 0 N--CA 1.435 -1.222 0 CA-C-N 115.324 -0.853 . . . . 100.0 110.771 -179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.01 28.75 18.11 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 113.083 -1.871 . . . . 100.0 112.769 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.2 p 51.61 43.43 29.8 Favored 'General case' 0 C--N 1.363 1.157 0 C-N-CA 126.81 2.044 . . . . 100.0 113.067 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.8 m -73.3 138.59 45.54 Favored 'General case' 0 C--N 1.358 0.954 0 N-CA-C 107.832 -1.173 . . . . 100.0 107.832 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.5 tpt -78.01 130.24 36.25 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 107.003 -1.48 . . . . 100.0 107.003 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -62.63 -42.0 99.34 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 117.646 2.461 . . . . 100.0 117.646 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.412 ' HG2' HG23 ' A' ' 13' ' ' ILE . 15.5 pm0 -71.2 157.24 38.48 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-O 122.395 1.093 . . . . 100.0 113.447 -177.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -81.78 87.29 6.35 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 113.961 -1.472 . . . . 100.0 109.221 -179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.423 HD12 ' C ' ' A' ' 13' ' ' ILE . 2.2 pp -84.05 -11.06 11.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 N-CA-C 119.527 3.158 . . . . 100.0 119.527 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.3 t -64.06 147.29 52.5 Favored 'General case' 0 CA--C 1.5 -0.949 0 CA-C-N 119.81 1.186 . . . . 100.0 109.228 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.14 92.04 Favored 'General case' 0 CA--C 1.497 -1.07 0 C-N-CA 125.271 1.428 . . . . 100.0 113.152 -176.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 60.6 m80 -62.99 -42.31 99.81 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-O 117.257 -1.354 . . . . 100.0 112.903 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.6 p 164.04 -48.0 0.0 OUTLIER 'General case' 0 C--N 1.377 1.776 0 O-C-N 124.704 1.253 . . . . 100.0 113.23 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.522 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 43.4 mtt -80.65 -179.11 7.07 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 116.325 1.972 . . . . 100.0 116.325 -176.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 20' ' ' PHE . 86.5 m -72.52 164.82 25.79 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 119.814 -1.804 . . . . 100.0 109.244 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.42 ' HB2' HD11 ' A' ' 13' ' ' ILE . 84.5 t80 -60.0 -42.74 94.93 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 126.806 2.043 . . . . 100.0 108.018 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -64.13 -39.01 93.11 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 125.953 1.701 . . . . 100.0 110.416 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -90.94 12.09 20.69 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 126.548 1.939 . . . . 100.0 112.294 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.4 t -58.85 -41.53 89.19 Favored Pre-proline 0 N--CA 1.44 -0.941 0 CA-C-O 115.407 -2.235 . . . . 100.0 113.322 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -59.22 -33.74 98.1 Favored 'Trans proline' 0 C--N 1.379 2.165 0 CA-C-N 124.095 2.498 . . . . 100.0 112.486 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -68.05 -23.6 64.98 Favored 'General case' 0 C--N 1.359 0.979 0 C-N-CA 124.145 0.978 . . . . 100.0 112.541 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 93.3 m -61.03 -35.93 78.19 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 125.039 1.336 . . . . 100.0 110.402 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -60.79 -38.35 85.03 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.024 1.33 . . . . 100.0 110.589 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.47 139.1 57.03 Favored 'General case' 0 C--N 1.36 1.061 0 N-CA-C 106.767 -1.568 . . . . 100.0 106.767 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.509 ' HG ' ' HD2' ' A' ' 32' ' ' ARG . 8.1 mp -94.5 16.95 14.04 Favored 'General case' 0 N--CA 1.434 -1.273 0 N-CA-C 114.579 1.326 . . . . 100.0 114.579 -178.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -60.63 -43.55 97.39 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.864 1.265 . . . . 100.0 110.702 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.44 -41.47 98.75 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.938 1.695 . . . . 100.0 111.55 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.707 ' HD3' ' HE1' ' A' ' 44' ' ' TRP . 68.4 mtt180 -61.49 -42.34 98.64 Favored 'General case' 0 CA--C 1.496 -1.105 0 C-N-CA 125.3 1.44 . . . . 100.0 111.099 -177.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -70.05 152.21 44.64 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 109.166 -0.679 . . . . 100.0 109.166 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.55 -8.67 66.47 Favored Glycine 0 C--N 1.351 1.368 0 CA-C-O 118.554 -1.136 . . . . 100.0 112.802 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -86.98 142.72 27.75 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 118.777 1.289 . . . . 100.0 108.849 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -61.39 -48.94 78.95 Favored 'General case' 0 N--CA 1.44 -0.965 0 N-CA-C 113.693 0.997 . . . . 100.0 113.693 -178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 68' ' ' PHE . 63.4 tp -134.08 128.86 35.07 Favored 'General case' 0 CA--C 1.49 -1.336 0 C-N-CA 118.484 -1.286 . . . . 100.0 109.346 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.453 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 94.8 mt -63.17 -40.83 98.68 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 126.296 1.839 . . . . 100.0 111.009 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.42 -22.56 66.96 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 126.08 1.752 . . . . 100.0 114.24 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.5 ' HA ' ' HB2' ' A' ' 68' ' ' PHE . 87.4 t80 -58.89 132.21 53.3 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 107.939 -1.134 . . . . 100.0 107.939 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -93.07 124.05 36.77 Favored 'General case' 0 N--CA 1.432 -1.357 0 CA-C-O 122.388 1.09 . . . . 100.0 111.997 -175.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HG3' ' HB3' ' A' ' 44' ' ' TRP . 12.6 pt-20 -153.77 -168.02 2.85 Favored 'General case' 0 N--CA 1.437 -1.082 0 C-N-CA 126.17 1.788 . . . . 100.0 107.259 178.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -60.27 -39.87 88.34 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 124.551 1.141 . . . . 100.0 111.28 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.707 ' HE1' ' HD3' ' A' ' 32' ' ' ARG 0.266 5.6 t90 -55.41 140.06 41.22 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 128.145 2.578 . . . . 100.0 109.37 176.381 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -82.0 121.27 78.91 Favored Pre-proline 0 C--N 1.361 1.082 0 N-CA-C 108.139 -1.06 . . . . 100.0 108.139 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -58.88 -36.87 96.23 Favored 'Trans proline' 0 C--N 1.372 1.795 0 C-N-CA 124.36 3.373 . . . . 100.0 113.708 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.485 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 86.5 tt0 -76.08 128.8 35.74 Favored 'General case' 0 CA--C 1.495 -1.153 0 N-CA-C 106.201 -1.778 . . . . 100.0 106.201 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -101.82 128.54 48.14 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-O 122.049 0.928 . . . . 100.0 109.149 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.73 -47.33 85.74 Favored 'General case' 0 N--CA 1.437 -1.082 0 C-N-CA 125.423 1.489 . . . . 100.0 113.82 -177.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.74 -41.47 87.77 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 113.602 0.964 . . . . 100.0 113.602 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.544 ' HB ' ' HB2' ' A' ' 54' ' ' GLU . 42.9 p -85.97 83.77 7.7 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-O 122.183 0.992 . . . . 100.0 110.048 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -90.97 106.91 18.85 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 107.55 -1.278 . . . . 100.0 107.55 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.85 -14.09 59.44 Favored Glycine 0 N--CA 1.432 -1.582 0 CA-C-N 113.747 -1.569 . . . . 100.0 113.237 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.544 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 83.2 mt-10 -70.16 -41.9 73.22 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-N 118.487 1.143 . . . . 100.0 111.689 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.25 -45.06 93.33 Favored 'General case' 0 CA--C 1.499 -0.995 0 C-N-CA 124.593 1.157 . . . . 100.0 110.131 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.6 t0 53.54 42.27 31.95 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 127.156 2.183 . . . . 100.0 111.971 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.2 t -102.33 -46.6 11.04 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 105.426 -2.064 . . . . 100.0 105.426 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 47' ' ' GLU 0.378 35.6 m-85 -65.41 -38.12 88.98 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 117.029 2.233 . . . . 100.0 117.029 -179.245 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -61.85 -49.06 87.53 Favored Pre-proline 0 C--N 1.357 0.927 0 CA-C-O 116.892 -1.528 . . . . 100.0 111.895 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -72.76 -24.08 18.54 Favored 'Trans proline' 0 C--N 1.38 2.223 0 CA-C-N 122.421 1.9 . . . . 100.0 112.156 177.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t70 53.38 45.91 27.39 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 127.534 2.333 . . . . 100.0 112.301 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.4 mt -110.37 123.95 50.8 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 105.53 -2.026 . . . . 100.0 105.53 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -115.18 119.7 37.27 Favored 'General case' 0 N--CA 1.434 -1.252 0 N-CA-C 102.97 -2.974 . . . . 100.0 102.97 179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 59.3 mtm -114.97 118.34 33.18 Favored 'General case' 0 CA--C 1.492 -1.282 0 N-CA-C 107.778 -1.193 . . . . 100.0 107.778 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.443 ' HA ' ' CE2' ' A' ' 68' ' ' PHE . 66.6 mt-10 -63.53 -42.82 98.43 Favored 'General case' 0 CA--C 1.495 -1.141 0 CA-C-N 113.997 -1.456 . . . . 100.0 112.979 -179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.8 t -61.75 -43.79 97.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.77 0 C-N-CA 124.514 1.126 . . . . 100.0 110.12 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.07 -47.74 91.76 Favored 'Isoleucine or valine' 0 C--N 1.358 0.953 0 CA-C-O 118.404 -0.808 . . . . 100.0 110.741 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.514 ' HA ' HD23 ' A' ' 37' ' ' LEU 0.429 9.5 p90 -68.66 -38.57 80.52 Favored 'General case' 0 C--N 1.362 1.152 0 N-CA-C 115.081 1.511 . . . . 100.0 115.081 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -81.92 76.68 8.81 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 122.717 1.246 . . . . 100.0 110.896 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.1 m -66.37 -39.85 89.38 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 126.363 1.865 . . . . 100.0 108.077 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.829 HE21 ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.666 0 C-N-CA 125.429 1.491 . . . . 100.0 107.916 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_