data_2k4k_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 2k4k _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 N--CA 1.462 0.173 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 m -51.47 137.93 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 125.539 1.536 . . . . 0.0 111.421 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.15 -14.2 59.68 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-O 118.131 -1.372 . . . . 0.0 113.458 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.4 m -66.28 166.32 12.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 119.066 1.433 . . . . 0.0 110.984 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.0 t -139.15 127.9 28.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -145.12 172.72 12.69 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 124.823 1.249 . . . . 0.0 109.9 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 m -119.51 143.72 47.41 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 123.691 0.796 . . . . 0.0 109.02 -174.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.24 -172.97 24.23 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 125.131 1.348 . . . . 0.0 110.41 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -127.58 137.27 52.54 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 117.839 0.819 . . . . 0.0 110.523 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.3 t -71.16 124.86 28.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -175.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -108.3 -10.92 15.29 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.538 1.535 . . . . 0.0 112.682 -176.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -172.46 166.85 39.66 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 119.681 1.128 . . . . 0.0 111.066 171.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.4 mt -131.87 146.94 52.42 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.862 1.265 . . . . 0.0 108.07 172.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -146.29 159.72 42.96 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 126.26 1.824 . . . . 0.0 108.011 -176.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.43 -6.87 3.68 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -120.21 -6.19 9.91 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.357 1.463 . . . . 0.0 113.774 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.55 -175.29 41.29 Favored Glycine 0 CA--C 1.523 0.568 0 CA-C-N 119.895 1.225 . . . . 0.0 113.282 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.71 129.04 50.48 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 125.25 1.42 . . . . 0.0 108.447 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -78.53 139.81 38.61 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.7 t -135.64 126.05 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.57 125.7 29.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 166.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--N 1.33 -0.28 0 C-N-CA 123.587 0.755 . . . . 0.0 111.128 176.851 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.2 mt . . . . . 0 N--CA 1.465 0.294 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.7 m -140.53 128.94 22.59 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.014 1.326 . . . . 0.0 108.251 -176.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.3 p -64.34 149.06 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 O-C-N 121.244 -0.91 . . . . 0.0 109.98 168.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.53 33.29 80.96 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.293 -0.726 . . . . 0.0 111.84 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -126.47 159.79 32.35 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.928 0.891 . . . . 0.0 108.672 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -93.41 138.38 31.78 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.492 1.117 . . . . 0.0 109.354 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.8 m -143.75 148.36 18.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 124.943 1.297 . . . . 0.0 108.515 -173.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -102.47 129.96 49.14 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 171.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.7 m -124.06 147.64 28.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 126.293 1.837 . . . . 0.0 109.758 -169.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -97.14 131.54 43.8 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 168.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.3 t -67.5 117.42 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 125.093 1.357 . . . . 0.0 108.461 170.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -93.45 -41.01 10.03 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 122.63 0.372 . . . . 0.0 111.217 173.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.01 151.64 25.58 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.319 1.447 . . . . 0.0 108.166 -174.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.2 t . . . . . 0 C--N 1.328 -0.363 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.62 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 17.9 mt . . . . . 0 N--CA 1.457 -0.089 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.5 m -85.1 136.39 33.58 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 166.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.3 mt -128.27 164.4 22.66 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.617 0.767 . . . . 0.0 110.54 -168.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.4 t -133.14 153.37 51.59 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.712 1.205 . . . . 0.0 109.829 171.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.9 mm -124.4 -29.75 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 127.735 2.414 . . . . 0.0 109.93 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -57.99 -35.94 71.92 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 120.185 1.357 . . . . 0.0 110.847 169.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 C-N-CA 122.879 0.472 . . . . 0.0 111.393 174.864 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 CA--C 1.53 0.194 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 32.8 m -55.52 141.69 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 124.379 1.072 . . . . 0.0 111.718 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.62 -16.01 43.21 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 118.251 -1.305 . . . . 0.0 113.166 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -65.86 165.81 12.32 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.747 1.273 . . . . 0.0 110.546 171.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -146.49 129.67 9.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -142.12 -171.77 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.102 1.361 . . . . 0.0 109.154 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 m -117.9 150.69 38.79 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.32 -178.98 30.1 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 124.587 1.089 . . . . 0.0 110.587 -177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.61 124.04 32.76 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -172.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.4 t -66.57 127.95 28.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 C-N-CA 124.005 0.922 . . . . 0.0 108.542 -174.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.36 -11.05 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.813 1.645 . . . . 0.0 112.596 -171.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.94 167.59 38.48 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 119.62 1.1 . . . . 0.0 110.899 169.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.9 mt -125.71 150.51 47.61 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 124.829 1.252 . . . . 0.0 107.972 173.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -145.87 161.63 39.57 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 126.096 1.759 . . . . 0.0 107.721 178.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.39 -4.97 3.05 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -131.51 6.06 4.4 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.907 1.283 . . . . 0.0 113.973 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.25 179.4 38.41 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 119.496 1.044 . . . . 0.0 112.842 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.73 135.09 49.68 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.729 1.212 . . . . 0.0 109.626 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -80.28 141.28 35.66 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 174.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 t -136.54 112.83 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 175.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.55 144.84 55.42 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 169.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 C--N 1.328 -0.331 0 C-N-CA 124.399 1.08 . . . . 0.0 110.553 -169.775 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.43 ' HG ' ' H ' ' A' ' 53' ' ' SER . 4.7 tp . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.43 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 46.6 m -149.41 128.29 12.58 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.159 0.984 . . . . 0.0 108.442 -172.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.0 p -62.81 148.5 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 O-C-N 120.962 -1.086 . . . . 0.0 109.88 166.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.56 33.1 64.02 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 118.841 -0.977 . . . . 0.0 112.0 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -126.72 163.43 23.55 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 123.862 0.865 . . . . 0.0 108.764 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -111.38 124.42 52.21 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.205 1.402 . . . . 0.0 107.664 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.6 m -137.3 146.41 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 124.348 1.059 . . . . 0.0 109.467 -168.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -83.63 137.38 33.83 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 170.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.9 129.63 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 125.999 1.719 . . . . 0.0 108.109 -169.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -87.73 133.64 33.81 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 170.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.7 t -68.34 115.79 7.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 170.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.6 tp -95.72 -38.52 10.31 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 123.446 0.698 . . . . 0.0 111.282 -177.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.57 159.12 42.09 Favored 'General case' 0 N--CA 1.461 0.107 0 C-N-CA 124.27 1.028 . . . . 0.0 108.982 177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.2 t . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 106.236 -1.765 . . . . 0.0 106.236 173.368 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 C--O 1.232 0.136 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 m -109.47 150.06 28.67 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 168.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.4 mt -132.23 167.81 19.17 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.001 0.921 . . . . 0.0 108.956 -170.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.3 p -136.93 146.46 45.48 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.441 0.697 . . . . 0.0 109.701 169.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.1 mm -115.32 -23.3 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 126.892 2.077 . . . . 0.0 109.192 174.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -58.01 -26.63 62.65 Favored 'General case' 0 CA--C 1.52 -0.208 0 O-C-N 120.573 -1.329 . . . . 0.0 112.944 170.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 173.112 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.9 mp0 . . . . . 0 CA--C 1.536 0.434 0 CA-C-O 121.221 0.534 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -49.52 136.43 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 124.792 1.237 . . . . 0.0 111.149 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.81 -11.41 64.53 Favored Glycine 0 CA--C 1.533 1.208 0 CA-C-O 118.474 -1.181 . . . . 0.0 113.658 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.6 m -65.79 161.37 21.05 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.109 1.454 . . . . 0.0 110.075 171.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.9 t -128.44 127.85 67.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 172.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -137.14 178.31 7.19 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.871 1.668 . . . . 0.0 109.335 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -128.44 141.78 51.29 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.95 -176.67 27.44 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 124.354 0.978 . . . . 0.0 110.942 -173.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.96 125.51 39.64 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -171.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 t -67.19 128.61 30.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.4 -11.96 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.647 1.579 . . . . 0.0 112.847 -172.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.29 167.63 39.34 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 119.381 0.991 . . . . 0.0 110.983 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.6 mt -130.06 148.24 51.89 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 125.131 1.373 . . . . 0.0 107.596 175.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -145.81 160.96 41.02 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.443 1.897 . . . . 0.0 107.043 -177.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.14 -5.97 2.68 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 175.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -124.54 -0.63 8.1 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.65 1.18 . . . . 0.0 112.969 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.93 -179.85 37.03 Favored Glycine 0 CA--C 1.526 0.731 0 CA-C-N 120.048 1.295 . . . . 0.0 114.467 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.48 126.23 48.76 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.17 1.788 . . . . 0.0 108.638 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -77.03 141.59 40.25 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 173.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.5 t -136.83 114.97 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.27 148.88 37.27 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.8 mt . . . . . 0 C--N 1.327 -0.389 0 C-N-CA 124.711 1.204 . . . . 0.0 111.105 -171.366 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' HG ' ' H ' ' A' ' 53' ' ' SER . 5.2 tp . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.45 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 31.4 m -143.9 135.9 26.46 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.141 0.977 . . . . 0.0 108.893 -178.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.4 p -69.98 154.49 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 168.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.02 32.81 77.63 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-O 119.193 -0.782 . . . . 0.0 111.65 175.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -129.1 161.82 29.15 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -100.65 135.19 42.47 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.68 1.192 . . . . 0.0 107.804 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.9 m -142.44 145.63 23.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 C-N-CA 124.519 1.128 . . . . 0.0 108.877 -171.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -89.14 136.08 33.21 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 168.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.3 m -126.46 145.02 34.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 125.869 1.668 . . . . 0.0 109.495 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -101.08 132.61 46.45 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 168.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 t -67.56 131.06 33.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 172.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -112.25 -38.07 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.602 1.161 . . . . 0.0 111.302 -174.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.78 163.0 38.51 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.235 1.014 . . . . 0.0 109.4 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--N 1.326 -0.438 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 171.039 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 52.7 mt . . . . . 0 CA--C 1.519 -0.223 0 N-CA-C 104.647 -2.353 . . . . 0.0 104.647 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 m -88.82 142.63 27.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 174.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -128.27 170.52 12.94 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.969 1.308 . . . . 0.0 108.362 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.8 p -144.16 151.01 38.95 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 124.137 0.975 . . . . 0.0 109.807 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.2 mm -123.87 -29.66 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 126.189 1.796 . . . . 0.0 109.801 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -56.33 -29.83 61.8 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.465 1.484 . . . . 0.0 111.906 171.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.376 0 C-N-CA 123.872 0.869 . . . . 0.0 111.284 170.561 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 121.369 0.604 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -52.91 130.67 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 124.891 1.276 . . . . 0.0 109.985 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.6 -16.64 60.19 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-O 118.469 -1.184 . . . . 0.0 112.89 178.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 m -64.36 160.24 19.39 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.56 1.18 . . . . 0.0 110.297 172.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.5 t -122.93 139.02 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 169.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -141.33 -170.65 3.12 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.913 1.685 . . . . 0.0 107.637 -174.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.0 m -133.94 151.36 51.45 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 175.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.14 -179.86 32.39 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 174.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.44 122.72 40.4 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.7 t -65.85 125.47 23.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 C-N-CA 124.383 1.073 . . . . 0.0 108.785 -174.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -110.44 -14.35 14.12 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 125.255 1.422 . . . . 0.0 112.911 -171.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.35 171.51 44.62 Favored Glycine 0 C--N 1.333 0.392 0 CA-C-N 119.779 1.172 . . . . 0.0 111.153 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.6 mt -132.37 152.99 51.22 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 124.922 1.289 . . . . 0.0 108.621 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -145.75 160.21 42.07 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 127.167 2.187 . . . . 0.0 106.911 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.71 -5.85 4.73 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -129.85 7.09 5.14 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.01 1.324 . . . . 0.0 113.966 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.62 178.28 39.62 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-N 119.982 1.265 . . . . 0.0 114.331 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.41 128.56 48.31 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 125.532 1.533 . . . . 0.0 109.373 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -76.44 144.01 40.2 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 173.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.3 t -138.95 122.72 19.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.05 117.19 17.5 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 167.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.2 mt . . . . . 0 C--O 1.222 -0.352 0 C-N-CA 123.189 0.596 . . . . 0.0 110.15 -179.127 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.9 m -141.14 130.99 24.33 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.267 1.027 . . . . 0.0 108.578 -177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.4 p -67.94 152.91 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 O-C-N 121.305 -0.872 . . . . 0.0 109.997 166.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.09 32.24 72.77 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 119.033 -0.87 . . . . 0.0 111.798 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -129.59 161.71 29.92 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -106.76 135.26 48.6 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 124.661 1.184 . . . . 0.0 109.043 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.7 m -144.89 141.47 23.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 124.427 1.091 . . . . 0.0 109.876 -168.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -76.11 136.43 39.84 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 166.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.67 135.17 51.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 125.21 1.404 . . . . 0.0 109.406 -173.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -84.98 136.41 33.61 Favored 'General case' 0 CA--C 1.523 -0.076 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 169.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 t -71.68 115.31 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.4 tp -100.13 -30.36 11.98 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.865 1.266 . . . . 0.0 111.527 -173.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.26 163.53 33.37 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.687 1.595 . . . . 0.0 108.484 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 170.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--O 1.233 0.217 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 m -101.57 149.45 24.09 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 167.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.6 mt -134.55 166.92 21.76 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.998 0.919 . . . . 0.0 109.782 -169.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.2 t -140.03 150.48 44.45 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 123.781 0.832 . . . . 0.0 109.344 173.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.4 mm -117.92 -32.49 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 C-N-CA 126.836 2.054 . . . . 0.0 109.352 173.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -58.39 -27.32 64.14 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 120.743 1.611 . . . . 0.0 111.738 171.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 172.788 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 t -49.2 128.41 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 125.175 1.39 . . . . 0.0 110.408 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.95 -8.66 79.21 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 117.303 -1.831 . . . . 0.0 113.523 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 m -64.36 164.8 10.68 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.466 1.633 . . . . 0.0 111.074 170.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.1 t -140.04 130.6 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -138.67 179.17 6.63 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.481 1.113 . . . . 0.0 108.966 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.1 m -109.31 149.93 28.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 169.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.32 178.43 29.53 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 124.496 1.046 . . . . 0.0 110.901 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.78 120.69 31.27 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -173.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 t -62.21 120.09 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 123.969 0.908 . . . . 0.0 109.124 -176.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.06 -17.23 19.24 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.576 1.55 . . . . 0.0 112.186 -175.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.18 169.98 41.96 Favored Glycine 0 C--N 1.335 0.496 0 CA-C-N 119.859 1.209 . . . . 0.0 110.786 173.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.2 mt -126.38 149.05 49.47 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.374 1.069 . . . . 0.0 108.452 173.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -143.12 159.53 42.11 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.735 2.014 . . . . 0.0 106.391 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.67 -7.25 6.95 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -122.44 -0.41 9.27 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.788 1.635 . . . . 0.0 113.313 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.18 -179.36 39.1 Favored Glycine 0 C--N 1.339 0.701 0 CA-C-N 119.614 1.097 . . . . 0.0 113.906 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.94 122.94 39.27 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.488 1.515 . . . . 0.0 108.636 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -70.98 139.19 50.49 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 171.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.8 t -139.24 114.4 8.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 177.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.86 146.28 55.11 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.088 0.555 . . . . 0.0 110.952 166.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 C--N 1.331 -0.2 0 C-N-CA 124.031 0.933 . . . . 0.0 110.584 -169.081 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 m -145.71 126.94 14.79 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.2 147.12 7.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 O-C-N 121.02 -1.05 . . . . 0.0 111.091 165.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.65 30.28 68.75 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.063 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -125.68 162.73 24.36 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.113 0.965 . . . . 0.0 108.63 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -108.46 131.71 54.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.952 1.301 . . . . 0.0 109.343 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.2 m -144.89 141.4 23.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 C-N-CA 124.381 1.072 . . . . 0.0 109.106 -168.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -70.3 138.65 51.7 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 163.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -134.78 137.03 51.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 125.877 1.671 . . . . 0.0 108.698 -177.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -92.21 134.03 35.26 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 169.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.55 113.47 2.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 C-N-CA 124.381 1.073 . . . . 0.0 109.9 167.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.1 tp -91.19 -36.06 14.17 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.8 0.84 . . . . 0.0 111.743 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.63 164.77 36.89 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.278 1.431 . . . . 0.0 108.783 172.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 CA--C 1.532 0.283 0 C-N-CA 124.059 0.944 . . . . 0.0 108.81 173.948 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.5 mt . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -76.98 144.7 38.55 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 166.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.8 mt -130.23 167.17 18.87 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 123.828 0.851 . . . . 0.0 110.113 -176.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 61.4 m -134.41 152.66 51.94 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.625 1.17 . . . . 0.0 109.365 173.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.8 mm -122.54 -20.05 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 125.231 1.413 . . . . 0.0 110.642 173.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -53.85 -28.85 38.44 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 119.912 -1.743 . . . . 0.0 112.38 167.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.672 0 CA-C-O 117.752 -1.118 . . . . 0.0 112.268 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--O 1.235 0.303 0 CA-C-O 121.443 0.639 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.7 t -52.6 132.74 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 125.001 1.32 . . . . 0.0 110.758 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.0 -18.31 56.35 Favored Glycine 0 CA--C 1.527 0.817 0 CA-C-O 117.92 -1.489 . . . . 0.0 112.882 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.3 m -64.24 159.03 21.65 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.364 1.582 . . . . 0.0 110.202 169.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.9 t -115.15 140.47 36.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 168.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -143.56 176.98 8.79 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.668 1.587 . . . . 0.0 107.932 -177.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -136.74 146.23 45.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -175.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.04 -172.75 28.78 Favored Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.34 125.52 38.9 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -174.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.5 t -66.15 127.42 27.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 C-N-CA 123.99 0.916 . . . . 0.0 108.748 -174.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -110.09 -12.48 14.51 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 126.11 1.764 . . . . 0.0 112.314 -173.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.79 169.25 41.9 Favored Glycine 0 C--N 1.333 0.387 0 CA-C-N 119.876 1.217 . . . . 0.0 110.848 171.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.7 mt -132.86 148.71 52.3 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 124.995 1.318 . . . . 0.0 107.928 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -146.54 163.58 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 126.594 1.958 . . . . 0.0 107.7 177.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.36 -4.99 2.1 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -127.7 0.75 6.12 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.5 179.53 41.39 Favored Glycine 0 C--N 1.34 0.775 0 CA-C-N 120.241 1.382 . . . . 0.0 114.107 174.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.13 121.09 31.85 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 126.412 1.885 . . . . 0.0 108.505 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -74.56 143.94 44.23 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 t -139.45 115.02 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.66 141.06 48.28 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 165.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.0 mt . . . . . 0 N--CA 1.465 0.28 0 C-N-CA 124.195 0.998 . . . . 0.0 110.205 -171.883 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.9 m -145.91 134.5 22.13 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.534 1.134 . . . . 0.0 108.518 -174.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.8 p -66.74 153.42 8.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 O-C-N 121.034 -1.041 . . . . 0.0 110.209 165.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.82 31.11 75.07 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.101 175.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -127.68 160.34 31.96 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 123.994 0.918 . . . . 0.0 108.551 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -92.32 138.74 31.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.725 1.21 . . . . 0.0 109.26 173.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.3 m -141.71 150.05 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 124.664 1.186 . . . . 0.0 108.752 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -108.18 127.9 54.23 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.0 m -124.14 149.12 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 126.219 1.807 . . . . 0.0 109.904 -168.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -98.17 132.74 43.43 Favored 'General case' 0 C--O 1.227 -0.119 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 164.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.47 138.44 23.1 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 65.7 tp -124.49 -31.58 3.24 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 125.026 1.331 . . . . 0.0 111.44 -172.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.92 158.9 41.4 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 168.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--N 1.33 -0.255 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 168.373 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.0 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.5 m -84.65 147.4 26.97 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 118.587 0.63 . . . . 0.0 109.527 167.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.9 mt -133.6 167.23 20.86 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 125.397 1.479 . . . . 0.0 108.249 -173.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.4 p -144.15 152.61 41.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.413 0.685 . . . . 0.0 110.402 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.3 mm -128.55 -31.53 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 126.083 1.753 . . . . 0.0 109.757 -174.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -56.58 -25.79 53.49 Favored 'General case' 0 C--O 1.223 -0.336 0 O-C-N 120.097 -1.627 . . . . 0.0 112.248 167.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.496 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 173.093 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 CA--C 1.53 0.195 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.8 m -53.72 135.66 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 121.845 0.831 . . . . 0.0 110.909 -177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.16 -10.53 68.37 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-O 118.174 -1.348 . . . . 0.0 113.773 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 m -65.55 165.53 12.08 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 119.198 1.499 . . . . 0.0 110.274 169.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.6 t -141.25 130.94 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -140.75 -174.81 4.08 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.127 1.371 . . . . 0.0 109.595 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.0 m -123.62 147.28 47.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.37 -178.58 31.56 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 -172.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.07 122.29 31.78 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -171.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.03 122.25 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.29 -15.94 14.9 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 125.11 1.364 . . . . 0.0 112.558 -173.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.42 164.95 35.59 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 119.645 1.111 . . . . 0.0 111.081 173.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.8 mt -118.49 143.22 46.87 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 173.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -135.25 158.26 44.82 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 126.196 1.799 . . . . 0.0 107.984 -170.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.31 -1.56 0.78 Allowed 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -139.36 9.03 2.47 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 126.808 2.043 . . . . 0.0 112.364 -173.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.52 -167.49 33.55 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 120.179 1.354 . . . . 0.0 113.55 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.91 134.31 40.53 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 124.647 1.179 . . . . 0.0 109.672 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -79.24 142.29 36.35 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 174.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.95 115.08 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.09 140.89 57.61 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 169.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.6 mt . . . . . 0 C--N 1.327 -0.375 0 C-N-CA 124.819 1.248 . . . . 0.0 110.501 -169.912 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.543 ' HG ' ' H ' ' A' ' 53' ' ' SER . 5.3 tp . . . . . 0 N--CA 1.469 0.505 0 CA-C-O 122.574 1.178 . . . . 0.0 111.965 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.543 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 8.4 m -145.2 165.77 27.38 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 127.707 2.403 . . . . 0.0 106.435 173.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -121.62 152.23 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.778 1.231 . . . . 0.0 109.452 172.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.08 39.0 96.5 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -174.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -137.58 163.08 32.08 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.271 1.028 . . . . 0.0 108.761 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -93.03 139.48 30.49 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 124.487 1.115 . . . . 0.0 109.299 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.0 m -143.23 146.79 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 125.893 1.677 . . . . 0.0 109.03 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -88.48 137.63 32.15 Favored 'General case' 0 C--N 1.335 -0.061 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 167.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -133.49 133.12 57.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 125.658 1.583 . . . . 0.0 108.847 -169.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.06 137.48 32.31 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 169.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.52 112.28 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 169.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.4 tp -87.96 -40.06 14.22 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 123.952 0.901 . . . . 0.0 110.809 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.3 164.35 38.43 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.122 1.369 . . . . 0.0 109.495 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.473 0.72 0 C-N-CA 125.278 1.431 . . . . 0.0 108.099 168.614 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 82.3 mt . . . . . 0 N--CA 1.465 0.277 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.8 m -108.97 149.83 28.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 168.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.5 mt -131.94 168.89 17.11 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.068 0.947 . . . . 0.0 109.657 -168.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 p -142.22 152.1 42.76 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.168 0.987 . . . . 0.0 110.093 172.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 23.5 mm -123.68 -32.38 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.348 1.859 . . . . 0.0 109.886 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -55.57 -25.75 39.75 Favored 'General case' 0 C--O 1.223 -0.334 0 O-C-N 120.466 -1.396 . . . . 0.0 112.414 169.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.475 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 174.184 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.0 m -45.38 132.36 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 124.488 1.115 . . . . 0.0 112.102 172.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.8 -13.4 64.46 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-O 117.61 -1.661 . . . . 0.0 113.797 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 m -65.06 164.18 13.41 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.929 1.364 . . . . 0.0 110.697 171.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.1 t -137.52 128.49 39.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -142.67 175.13 10.04 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.798 1.239 . . . . 0.0 109.592 -178.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -119.08 143.24 47.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.972 0.909 . . . . 0.0 108.552 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.57 -175.42 24.1 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 124.778 1.18 . . . . 0.0 110.628 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -124.95 135.68 53.05 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 124.138 0.975 . . . . 0.0 109.906 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 t -73.5 126.08 33.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -175.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -118.52 -7.82 10.56 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 125.045 1.338 . . . . 0.0 112.012 -168.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.47 167.94 40.74 Favored Glycine 0 C--N 1.333 0.404 0 CA-C-N 119.502 1.046 . . . . 0.0 110.574 170.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -137.05 148.21 46.65 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 124.659 1.183 . . . . 0.0 107.814 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -149.11 155.6 40.94 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 127.379 2.271 . . . . 0.0 106.324 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.95 2.01 0.81 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 172.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -125.33 0.31 7.7 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.406 1.482 . . . . 0.0 113.9 173.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.24 177.97 38.65 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-N 120.27 1.395 . . . . 0.0 114.486 173.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.62 118.31 27.86 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 126.353 1.861 . . . . 0.0 107.863 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -71.15 139.66 50.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 173.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.1 t -136.16 111.54 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.16 131.7 46.32 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.289 0.636 . . . . 0.0 109.32 168.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--O 1.219 -0.548 0 C-N-CA 124.454 1.102 . . . . 0.0 110.688 -168.077 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 tp . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.0 m -146.96 133.48 19.77 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -174.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.49 152.76 9.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 O-C-N 121.278 -0.888 . . . . 0.0 110.617 169.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.94 31.67 81.69 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-O 119.257 -0.746 . . . . 0.0 112.003 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -125.12 160.21 29.64 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -98.0 135.25 39.98 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 124.543 1.137 . . . . 0.0 109.302 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.4 m -142.46 147.0 21.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 124.519 1.127 . . . . 0.0 108.57 -173.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.404 ' NE2' ' H ' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -98.54 132.51 43.9 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.55 0.74 . . . . 0.0 109.439 169.472 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 m -129.0 147.4 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 126.552 1.941 . . . . 0.0 109.309 -167.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -99.4 129.23 45.58 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 167.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.95 126.91 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 124.236 1.014 . . . . 0.0 108.753 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.2 tp -112.38 -32.02 6.63 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 124.392 1.077 . . . . 0.0 111.289 -173.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.07 157.72 42.01 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.398 1.079 . . . . 0.0 108.657 171.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 65.4 t . . . . . 0 C--N 1.328 -0.348 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 169.048 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.2 mt . . . . . 0 CA--C 1.529 0.159 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.8 m -98.71 150.66 21.58 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 121.468 -0.77 . . . . 0.0 109.212 167.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.4 mt -135.62 171.03 15.04 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 124.594 1.158 . . . . 0.0 109.143 -170.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.5 p -145.9 151.33 37.69 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.197 0.999 . . . . 0.0 110.106 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 21.6 mm -122.22 -26.65 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 126.411 1.884 . . . . 0.0 110.414 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -55.47 -24.58 31.92 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 120.259 1.39 . . . . 0.0 112.694 167.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 117.82 -1.086 . . . . 0.0 113.795 174.752 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 N--CA 1.464 0.241 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.1 m -48.55 136.07 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 125.173 1.389 . . . . 0.0 111.499 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.95 -9.4 63.24 Favored Glycine 0 CA--C 1.533 1.16 0 CA-C-O 118.089 -1.395 . . . . 0.0 113.626 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 m -65.63 167.07 9.61 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 119.216 1.508 . . . . 0.0 110.339 169.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.7 t -140.11 127.98 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -142.34 170.29 15.99 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 124.227 1.011 . . . . 0.0 109.765 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 m -115.95 144.33 44.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.79 -174.65 25.87 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -173.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -126.9 136.96 53.03 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 123.508 0.723 . . . . 0.0 109.96 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.9 t -73.55 124.22 30.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -172.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -108.75 -9.6 15.22 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.923 1.289 . . . . 0.0 112.534 -173.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.59 165.12 36.34 Favored Glycine 0 C--N 1.334 0.471 0 CA-C-N 119.315 0.961 . . . . 0.0 110.947 169.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.8 mt -122.64 157.41 32.25 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 124.535 1.134 . . . . 0.0 108.064 169.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -147.97 164.51 33.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 126.191 1.796 . . . . 0.0 107.418 -176.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.06 -10.15 9.26 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 175.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -135.34 7.96 3.38 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.985 1.314 . . . . 0.0 113.729 -174.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.5 178.59 42.74 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-N 119.791 1.178 . . . . 0.0 114.068 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.33 119.43 21.71 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 126.166 1.786 . . . . 0.0 108.091 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -75.35 141.4 43.34 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 176.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.6 t -136.81 113.2 12.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.07 141.38 52.81 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--N 1.329 -0.323 0 C-N-CA 124.094 0.957 . . . . 0.0 111.604 -168.05 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.421 HD11 ' H ' ' A' ' 53' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.421 ' H ' HD11 ' A' ' 52' ' ' LEU . 73.9 m -158.57 127.73 5.59 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.708 0.803 . . . . 0.0 109.128 -174.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 p -63.78 150.17 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 123.31 0.644 . . . . 0.0 110.203 170.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.01 33.51 65.37 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.731 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -130.29 161.29 31.56 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.921 0.888 . . . . 0.0 108.914 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -94.72 137.28 34.02 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.617 1.167 . . . . 0.0 108.964 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.7 m -142.72 151.2 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.946 1.298 . . . . 0.0 108.718 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -103.57 130.46 50.99 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 171.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.91 146.45 32.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 126.338 1.855 . . . . 0.0 109.585 -169.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.74 137.51 33.73 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 167.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.7 t -68.88 113.16 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 170.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.7 tp -85.05 -43.31 14.04 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 124.042 0.937 . . . . 0.0 110.49 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.63 159.48 40.85 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 125.309 1.443 . . . . 0.0 108.838 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 66.5 t . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 173.75 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 N--CA 1.467 0.379 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 m -110.77 150.6 28.87 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 168.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.5 mt -135.08 166.28 23.43 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.25 1.02 . . . . 0.0 109.351 -168.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 p -140.69 152.95 45.74 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.297 1.039 . . . . 0.0 110.255 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.7 mm -128.51 -33.92 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 126.482 1.913 . . . . 0.0 110.03 -173.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -56.82 -27.96 60.8 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 120.258 1.39 . . . . 0.0 111.714 169.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.267 0 C-N-CA 124.362 1.065 . . . . 0.0 112.619 172.395 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 N--CA 1.462 0.144 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.4 m -55.78 140.55 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 122.087 0.946 . . . . 0.0 111.448 -175.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.16 -14.92 57.91 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.987 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -64.49 160.45 19.3 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.721 1.26 . . . . 0.0 110.351 173.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.8 t -136.7 125.18 35.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -142.93 173.47 11.52 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 124.491 1.117 . . . . 0.0 109.475 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.5 m -115.91 144.81 43.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.84 -174.93 24.56 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 124.617 1.103 . . . . 0.0 110.574 -172.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.46 123.99 32.93 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 -170.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.43 125.84 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -176.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -111.74 -10.27 14.06 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 125.174 1.39 . . . . 0.0 112.635 -173.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.01 166.8 37.72 Favored Glycine 0 C--N 1.334 0.458 0 CA-C-N 119.677 1.126 . . . . 0.0 111.427 169.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.0 mt -125.67 146.99 49.49 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.791 1.236 . . . . 0.0 108.298 171.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -143.95 161.22 39.29 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 126.59 1.956 . . . . 0.0 107.562 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.42 -1.28 1.1 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -132.66 2.2 3.74 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.152 1.381 . . . . 0.0 113.528 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.55 175.99 39.08 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-N 120.183 1.356 . . . . 0.0 114.441 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.72 120.18 34.92 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 126.658 1.983 . . . . 0.0 108.201 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -74.29 140.07 44.67 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 174.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.2 t -135.54 113.71 15.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.92 144.17 49.05 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 172.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 C--N 1.327 -0.388 0 C-N-CA 124.68 1.192 . . . . 0.0 110.773 -169.465 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.439 ' HG ' ' H ' ' A' ' 53' ' ' SER . 3.8 tp . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.439 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 55.8 m -149.36 139.55 22.2 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.097 1.359 . . . . 0.0 109.497 -173.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.9 t -72.62 152.34 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 168.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.19 28.86 69.4 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 119.136 -0.813 . . . . 0.0 111.462 174.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -123.39 160.34 27.02 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -99.08 134.59 41.7 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 124.439 1.096 . . . . 0.0 108.045 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.4 m -142.31 148.28 20.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 124.592 1.157 . . . . 0.0 108.425 -173.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -99.63 133.54 43.82 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 173.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.7 m -126.94 147.51 31.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 125.768 1.627 . . . . 0.0 109.494 -169.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -103.94 127.39 51.48 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 168.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.3 t -64.55 126.09 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.9 tp -112.21 -31.56 6.82 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 124.739 1.216 . . . . 0.0 111.328 -172.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.48 157.52 39.96 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.522 1.129 . . . . 0.0 108.712 171.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.1 t . . . . . 0 C--N 1.329 -0.324 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 170.653 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.1 mt . . . . . 0 C--O 1.232 0.179 0 N-CA-C 104.474 -2.417 . . . . 0.0 104.474 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.5 m -109.64 146.27 35.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 171.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -133.07 171.56 13.81 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 124.534 1.133 . . . . 0.0 109.0 -169.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 p -145.66 152.38 39.54 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.812 0.845 . . . . 0.0 110.156 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.0 mm -124.83 -32.13 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 126.353 1.861 . . . . 0.0 109.591 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -58.68 -23.78 60.03 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.879 1.218 . . . . 0.0 112.078 169.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.519 0 C-N-CA 124.104 0.962 . . . . 0.0 113.497 173.417 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 CA--C 1.53 0.207 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.0 t -53.09 129.87 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 124.455 1.102 . . . . 0.0 110.109 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.96 -13.24 67.46 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 117.873 -1.515 . . . . 0.0 113.262 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -65.14 164.68 12.64 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 119.004 1.402 . . . . 0.0 110.648 172.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.7 t -138.28 128.75 35.46 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.072 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -145.51 175.87 10.02 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.318 1.447 . . . . 0.0 109.023 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.1 m -125.42 145.34 50.11 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.87 -179.62 31.96 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -173.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -110.31 135.68 50.67 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 118.861 -0.59 . . . . 0.0 109.607 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.2 t -68.8 128.26 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -118.38 -7.32 10.7 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.056 1.342 . . . . 0.0 112.35 -171.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.68 164.57 34.87 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 119.909 1.231 . . . . 0.0 110.756 168.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt -123.55 149.37 45.34 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 124.844 1.258 . . . . 0.0 108.518 168.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -143.91 161.17 39.39 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 126.997 2.119 . . . . 0.0 107.467 177.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.05 -3.37 1.21 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -132.74 2.87 3.77 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.214 1.406 . . . . 0.0 113.687 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.02 176.07 39.97 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-N 120.042 1.292 . . . . 0.0 114.418 174.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.82 119.87 33.95 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 126.555 1.942 . . . . 0.0 108.486 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -72.34 140.14 48.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 173.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.3 t -133.72 112.93 17.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 173.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.69 147.3 45.82 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.879 0.847 . . . . 0.0 110.172 171.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.4 mt . . . . . 0 C--N 1.33 -0.269 0 C-N-CA 125.42 1.488 . . . . 0.0 110.595 -169.188 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.412 ' HG ' ' H ' ' A' ' 53' ' ' SER . 3.5 tp . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.412 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 66.1 m -148.02 134.58 19.78 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 124.763 1.225 . . . . 0.0 109.643 -168.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.4 t -67.48 151.2 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 166.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.92 39.34 93.31 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -125.47 154.39 42.12 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 168.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -92.89 133.39 36.14 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 169.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.2 m -140.02 142.76 31.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -175.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -90.56 133.55 35.0 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 171.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.09 141.2 47.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 126.56 1.944 . . . . 0.0 108.947 -169.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -93.4 132.11 37.95 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 165.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.5 t -64.78 115.04 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 171.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.3 tp -95.9 -32.69 12.52 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 124.456 1.102 . . . . 0.0 111.276 -175.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.92 161.39 38.23 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.74 1.216 . . . . 0.0 109.133 172.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 168.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.2 mt . . . . . 0 C--O 1.233 0.21 0 N-CA-C 105.527 -2.027 . . . . 0.0 105.527 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -109.7 149.57 29.56 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 169.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.0 mt -133.53 169.34 17.12 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 124.254 1.022 . . . . 0.0 109.478 -169.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.6 t -139.06 148.72 43.72 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.524 1.129 . . . . 0.0 108.777 175.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.2 mm -122.71 -26.03 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 127.189 2.195 . . . . 0.0 109.155 173.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.94 -29.22 62.96 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 119.291 -2.131 . . . . 0.0 111.108 168.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 117.959 -1.02 . . . . 0.0 113.523 172.265 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 . . . . . 0 N--CA 1.463 0.215 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 m -54.1 138.41 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 122.259 1.028 . . . . 0.0 111.141 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.02 -18.11 49.67 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 117.925 -1.486 . . . . 0.0 112.83 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 m -63.33 165.5 7.51 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.001 1.401 . . . . 0.0 110.751 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.6 t -138.98 127.95 29.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 -178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -140.47 177.82 7.75 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.53 1.132 . . . . 0.0 109.385 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -118.05 145.42 44.82 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.92 -176.28 27.88 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -175.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -127.31 136.12 51.49 Favored 'General case' 0 CA--C 1.512 -0.499 0 C-N-CA 123.675 0.79 . . . . 0.0 109.393 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 t -72.16 125.92 31.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 -175.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -115.81 -8.75 11.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 125.044 1.338 . . . . 0.0 112.557 -171.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -172.34 168.12 41.14 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 119.344 0.974 . . . . 0.0 110.888 170.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.3 mt -132.61 146.91 52.27 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.086 1.354 . . . . 0.0 107.399 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -143.23 160.48 40.39 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 127.044 2.138 . . . . 0.0 106.426 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.89 -4.47 2.17 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 174.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -126.58 4.34 6.82 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.828 1.251 . . . . 0.0 113.017 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.4 179.96 38.84 Favored Glycine 0 CA--C 1.526 0.771 0 CA-C-N 120.148 1.34 . . . . 0.0 114.773 176.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.63 119.99 31.47 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 126.707 2.003 . . . . 0.0 108.045 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -73.65 140.29 46.03 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 174.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.3 t -135.84 112.63 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.04 143.06 50.85 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 171.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 C--N 1.327 -0.375 0 C-N-CA 124.859 1.263 . . . . 0.0 110.684 -169.226 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.453 ' HG ' ' H ' ' A' ' 53' ' ' SER . 4.5 tp . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.453 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 20.3 m -138.96 136.13 35.09 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.123 1.369 . . . . 0.0 108.147 -176.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.5 p -77.89 150.71 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 168.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.21 33.4 85.04 Favored Glycine 0 CA--C 1.531 1.045 0 CA-C-O 119.052 -0.86 . . . . 0.0 111.785 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -126.71 163.42 23.56 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.167 0.987 . . . . 0.0 108.605 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -103.34 135.87 44.16 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 125.097 1.359 . . . . 0.0 108.769 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.6 m -145.04 147.08 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.854 1.262 . . . . 0.0 109.289 -170.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -91.92 135.75 33.69 Favored 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 168.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 m -129.7 144.81 36.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 125.905 1.682 . . . . 0.0 109.885 -173.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -96.77 133.35 41.46 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 168.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.24 117.6 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 171.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.7 tp -95.33 -38.49 10.5 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.18 0.992 . . . . 0.0 110.976 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.79 159.49 40.65 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.345 1.458 . . . . 0.0 108.752 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 170.4 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 64.9 mt . . . . . 0 C--O 1.231 0.128 0 N-CA-C 104.6 -2.371 . . . . 0.0 104.6 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 m -102.6 147.88 26.25 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 170.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.5 mt -134.52 167.28 21.06 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.905 0.882 . . . . 0.0 109.447 -170.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.5 m -136.55 148.22 47.46 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 124.052 0.941 . . . . 0.0 109.844 172.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.7 mm -114.96 -24.51 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 126.867 2.067 . . . . 0.0 109.512 169.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -56.66 -27.02 57.81 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 119.955 -1.716 . . . . 0.0 112.565 171.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 174.122 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 CA--C 1.536 0.408 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.6 m -53.27 130.48 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-O 121.808 0.813 . . . . 0.0 111.361 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.26 -18.41 57.43 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-O 117.124 -1.931 . . . . 0.0 113.43 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.2 m -60.01 162.88 5.19 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.595 1.697 . . . . 0.0 111.081 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.6 t -133.22 129.66 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 105.715 -1.958 . . . . 0.0 105.715 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -140.9 175.43 9.62 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.567 0.747 . . . . 0.0 109.349 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 m -115.16 144.79 43.14 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.16 -177.86 27.99 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -125.58 137.24 53.9 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 123.238 0.615 . . . . 0.0 110.125 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.8 t -73.99 125.37 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -170.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -105.32 -14.96 15.18 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 124.992 1.317 . . . . 0.0 112.083 -173.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.37 166.24 36.06 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 119.685 1.13 . . . . 0.0 110.741 169.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -116.47 152.11 34.71 Favored 'General case' 0 C--O 1.227 -0.123 0 C-N-CA 123.876 0.87 . . . . 0.0 108.775 167.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -141.01 161.2 38.4 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.549 2.34 . . . . 0.0 106.505 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.96 -6.9 2.07 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -127.62 0.72 6.16 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.803 1.641 . . . . 0.0 112.704 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.85 -176.75 39.86 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-N 120.429 1.468 . . . . 0.0 114.742 176.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.64 118.22 28.65 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.115 1.766 . . . . 0.0 108.219 -176.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -71.81 141.55 49.67 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.777 -0.577 . . . . 0.0 109.522 172.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 t -138.33 114.14 10.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.23 143.9 52.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.155 0.582 . . . . 0.0 109.786 167.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 C--O 1.225 -0.212 0 C-N-CA 124.676 1.19 . . . . 0.0 110.579 -168.318 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.434 HD11 ' H ' ' A' ' 53' ' ' SER . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.434 ' H ' HD11 ' A' ' 52' ' ' LEU . 50.6 m -149.42 133.87 17.53 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 123.936 0.894 . . . . 0.0 108.742 -167.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.2 t -68.39 150.82 10.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 169.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.03 29.12 72.43 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-O 119.223 -0.765 . . . . 0.0 111.762 174.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -121.12 160.67 23.21 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.052 0.941 . . . . 0.0 108.537 175.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -99.8 135.49 41.15 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.967 1.307 . . . . 0.0 109.551 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.7 m -143.52 146.34 21.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -173.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -93.66 136.53 33.84 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 122.443 0.297 . . . . 0.0 110.433 166.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.81 145.11 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 126.904 2.082 . . . . 0.0 108.432 -169.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -95.28 132.0 40.75 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 165.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.3 t -64.78 117.12 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.915 0.886 . . . . 0.0 108.907 172.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.8 tp -94.65 -38.63 10.74 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.472 1.109 . . . . 0.0 110.87 -178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.52 158.43 41.27 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 124.584 1.154 . . . . 0.0 108.561 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.328 -0.353 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 173.314 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.9 mt . . . . . 0 C--O 1.236 0.368 0 N-CA-C 105.609 -1.996 . . . . 0.0 105.609 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 m -107.27 151.1 25.91 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.831 0.853 . . . . 0.0 108.75 166.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.8 mt -137.51 167.96 20.61 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.685 1.194 . . . . 0.0 109.926 -167.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.6 m -137.88 148.85 45.74 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.914 0.886 . . . . 0.0 109.454 174.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.7 mm -116.97 -27.04 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 126.533 1.933 . . . . 0.0 109.415 170.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -56.7 -29.19 62.16 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 119.703 -1.873 . . . . 0.0 111.568 172.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.613 0 CA-C-O 117.301 -1.333 . . . . 0.0 112.73 176.736 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 N--CA 1.463 0.183 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.8 m -51.18 133.49 12.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 124.562 1.145 . . . . 0.0 110.816 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.81 -16.12 61.55 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 118.545 -1.142 . . . . 0.0 112.944 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -63.51 156.23 26.97 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.026 1.413 . . . . 0.0 109.88 173.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.3 t -121.2 137.97 53.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 172.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -144.35 -175.9 4.82 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 125.883 1.673 . . . . 0.0 108.42 -173.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.6 m -140.39 139.13 35.25 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.402 ' HA3' HD22 ' A' ' 27' ' ' LEU . . . -150.38 -179.18 25.95 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 123.707 0.67 . . . . 0.0 111.705 -175.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.01 122.06 39.31 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 -173.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.7 t -66.17 124.56 21.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -175.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -102.37 -15.24 16.6 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 125.099 1.36 . . . . 0.0 112.999 -174.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.43 169.7 42.29 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-N 119.586 1.085 . . . . 0.0 111.149 173.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.8 mt -127.03 154.52 44.54 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 125.004 1.322 . . . . 0.0 108.243 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -141.71 164.73 29.4 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 127.344 2.258 . . . . 0.0 106.692 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -12.04 17.11 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -132.7 10.43 4.33 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.14 0.976 . . . . 0.0 112.74 -176.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.11 178.07 40.81 Favored Glycine 0 C--N 1.338 0.689 0 O-C-N 120.383 -1.448 . . . . 0.0 113.855 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.18 132.4 47.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.281 1.432 . . . . 0.0 109.42 -177.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -82.6 145.94 29.42 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 174.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.2 t -138.99 129.95 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.13 139.97 29.93 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 169.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.402 HD22 ' HA3' ' A' ' 13' ' ' GLY . 36.4 mt . . . . . 0 N--CA 1.465 0.321 0 C-N-CA 123.146 0.579 . . . . 0.0 110.544 -174.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.6 m -158.57 139.76 13.18 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.245 -0.909 . . . . 0.0 109.234 179.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.35 148.8 11.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 168.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.89 32.73 70.08 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.026 -0.874 . . . . 0.0 111.341 177.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -127.37 162.8 25.44 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 175.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -107.46 131.81 53.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.5 m -142.4 145.41 23.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 C-N-CA 124.216 1.006 . . . . 0.0 109.795 -169.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -79.54 142.04 36.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 169.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.07 148.0 27.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 124.643 1.177 . . . . 0.0 110.337 177.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -103.83 130.59 51.41 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 168.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.7 t -68.57 125.9 27.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.9 tp -111.74 -30.74 7.21 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.623 1.169 . . . . 0.0 111.473 -172.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.43 159.35 38.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.94 1.296 . . . . 0.0 108.234 173.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 CA--C 1.535 0.4 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 173.63 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 54.0 mt . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.2 m -94.45 143.6 26.27 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 169.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.3 mt -131.45 165.63 23.1 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 124.616 1.167 . . . . 0.0 108.461 -169.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 p -143.28 148.34 36.2 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.293 0.637 . . . . 0.0 109.516 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.4 mm -112.2 -42.51 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 125.245 1.418 . . . . 0.0 108.1 -178.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -55.99 -24.19 37.29 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.397 0.999 . . . . 0.0 112.871 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.533 0 C-N-CA 124.934 1.294 . . . . 0.0 113.799 176.511 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.1 t -54.36 127.94 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 124.272 1.029 . . . . 0.0 110.214 -173.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.38 -19.61 47.64 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 118.107 -1.385 . . . . 0.0 112.566 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -63.77 164.17 10.44 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.602 1.201 . . . . 0.0 111.115 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.8 t -138.17 128.49 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -144.17 -176.06 4.86 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 125.102 1.361 . . . . 0.0 109.401 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.1 m -125.34 145.81 49.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.49 178.21 33.94 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 -177.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -117.67 136.41 53.35 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 117.46 0.63 . . . . 0.0 110.071 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 t -68.57 128.43 31.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -116.7 -8.51 11.42 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 124.734 1.214 . . . . 0.0 112.525 -172.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.61 165.27 34.88 Favored Glycine 0 C--N 1.334 0.434 0 CA-C-N 119.642 1.11 . . . . 0.0 111.308 169.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -121.36 153.32 37.93 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 124.406 1.082 . . . . 0.0 109.183 169.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -142.65 161.22 38.64 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 127.186 2.194 . . . . 0.0 106.704 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.06 -6.92 4.53 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -129.92 7.31 5.13 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.124 1.37 . . . . 0.0 113.893 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.2 177.99 40.25 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 119.836 1.198 . . . . 0.0 114.621 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.36 122.21 33.08 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.124 1.77 . . . . 0.0 108.585 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -75.65 140.52 42.61 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.2 t -135.26 113.19 15.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 174.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.04 148.42 41.97 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.547 0.739 . . . . 0.0 109.683 173.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--N 1.327 -0.402 0 C-N-CA 125.043 1.337 . . . . 0.0 110.709 -169.137 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 N--CA 1.465 0.32 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.1 m -144.61 124.24 13.27 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.568 1.147 . . . . 0.0 108.718 -168.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.42 143.44 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 172.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.37 30.19 62.92 Favored Glycine 0 CA--C 1.527 0.826 0 CA-C-O 119.235 -0.758 . . . . 0.0 111.809 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -123.19 160.97 25.42 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 172.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -103.17 136.49 42.86 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 124.556 1.142 . . . . 0.0 109.305 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.2 m -143.86 145.6 21.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 C-N-CA 124.89 1.276 . . . . 0.0 108.558 -171.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -86.74 137.6 32.31 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 168.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 m -130.58 143.21 41.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 125.962 1.705 . . . . 0.0 109.477 -173.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -95.3 130.99 41.87 Favored 'General case' 0 CA--C 1.523 -0.077 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 168.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.9 t -66.3 122.18 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 171.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.2 tp -109.89 -27.95 9.0 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 124.651 1.18 . . . . 0.0 111.646 -175.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.46 160.99 40.07 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.677 1.191 . . . . 0.0 108.971 169.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 C--N 1.326 -0.438 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 168.609 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--O 1.232 0.174 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 m -110.41 148.47 31.95 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 169.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.6 mt -134.0 167.89 19.79 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 124.262 1.025 . . . . 0.0 109.682 -168.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.2 t -137.0 151.52 49.08 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.528 1.131 . . . . 0.0 109.467 172.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.3 mm -123.98 -28.73 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 127.11 2.164 . . . . 0.0 109.715 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -56.66 -29.47 62.34 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 120.857 1.662 . . . . 0.0 111.409 168.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 174.926 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 . . . . . 0 CA--C 1.53 0.18 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 m -55.17 142.0 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 124.617 1.167 . . . . 0.0 111.674 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.86 -12.22 53.93 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-O 117.976 -1.458 . . . . 0.0 113.557 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 m -65.33 165.68 11.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 119.059 1.429 . . . . 0.0 110.726 172.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.5 t -139.63 127.11 25.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -140.64 179.97 6.38 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.458 1.103 . . . . 0.0 109.324 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.2 m -121.95 143.54 49.41 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.79 -178.97 29.64 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -174.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -121.49 136.49 54.95 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 117.607 0.703 . . . . 0.0 110.215 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.3 t -71.69 126.74 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 -175.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -115.1 -7.25 12.49 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.877 1.271 . . . . 0.0 112.227 -171.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.35 165.7 37.32 Favored Glycine 0 C--N 1.331 0.304 0 CA-C-N 119.384 0.993 . . . . 0.0 110.734 169.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.2 mt -130.78 148.76 52.6 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 124.871 1.268 . . . . 0.0 107.802 173.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -146.97 158.22 43.86 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.521 1.928 . . . . 0.0 106.857 -176.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.64 -3.06 1.97 Allowed 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -130.33 6.12 4.86 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.328 1.451 . . . . 0.0 114.446 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.48 178.11 39.43 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 119.81 1.186 . . . . 0.0 114.532 175.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.68 120.89 29.02 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 126.242 1.817 . . . . 0.0 108.57 -177.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -74.5 141.35 44.89 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 173.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.0 t -137.25 111.55 9.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 176.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.14 142.47 55.74 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.114 0.566 . . . . 0.0 109.692 168.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 C--N 1.33 -0.27 0 C-N-CA 123.186 0.594 . . . . 0.0 111.296 -167.847 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 C--O 1.223 -0.295 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 m -142.47 124.31 15.15 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -175.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.1 p -59.28 145.52 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 O-C-N 121.204 -0.935 . . . . 0.0 110.561 167.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.38 32.34 71.84 Favored Glycine 0 CA--C 1.526 0.756 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.107 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -126.87 161.77 27.48 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.95 0.9 . . . . 0.0 108.805 174.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -101.67 135.57 42.98 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.643 1.177 . . . . 0.0 109.916 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.9 m -144.24 143.42 23.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 C-N-CA 125.052 1.341 . . . . 0.0 109.083 -172.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -80.51 138.14 36.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 166.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 m -132.61 146.32 33.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 126.136 1.774 . . . . 0.0 109.901 -177.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -95.38 134.04 38.64 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 167.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.76 113.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 168.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -90.15 -41.83 11.41 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.412 0.685 . . . . 0.0 111.164 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.92 166.19 33.27 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 125.491 1.516 . . . . 0.0 108.777 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.467 0.379 0 C-N-CA 124.813 1.245 . . . . 0.0 108.783 173.449 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 78.1 mt . . . . . 0 CA--C 1.522 -0.103 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 m -96.28 145.96 25.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 166.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.1 mt -132.82 166.33 22.52 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 123.68 0.792 . . . . 0.0 110.096 -170.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 m -135.27 150.3 50.0 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 123.949 0.9 . . . . 0.0 109.889 171.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.5 mm -117.59 -24.73 3.26 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 C-N-CA 125.917 1.687 . . . . 0.0 110.403 171.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -54.45 -27.16 35.39 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.923 1.238 . . . . 0.0 113.297 169.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 176.772 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 . . . . . 0 C--O 1.235 0.326 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.1 m -54.89 140.62 12.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 124.595 1.158 . . . . 0.0 112.538 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.9 -21.95 27.81 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 117.261 -1.855 . . . . 0.0 112.969 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 m -63.19 164.58 8.47 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 118.798 1.299 . . . . 0.0 110.955 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.9 t -138.94 129.63 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -140.93 -175.28 4.25 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.933 1.293 . . . . 0.0 109.576 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -120.51 146.15 46.57 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.32 -176.0 24.51 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 124.966 1.27 . . . . 0.0 110.16 -177.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -125.97 135.08 51.42 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 117.864 0.832 . . . . 0.0 110.372 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.2 t -70.85 126.89 32.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -174.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -111.66 -11.83 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.948 1.299 . . . . 0.0 112.21 -173.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.75 166.0 35.46 Favored Glycine 0 C--N 1.334 0.44 0 O-C-N 120.957 -1.089 . . . . 0.0 110.899 168.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.6 mt -118.93 151.06 38.83 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 123.994 0.918 . . . . 0.0 108.851 167.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -141.89 160.43 40.22 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 127.35 2.26 . . . . 0.0 106.429 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -7.53 4.12 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -120.28 -2.64 10.07 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.649 1.58 . . . . 0.0 113.499 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.95 -178.05 39.51 Favored Glycine 0 C--N 1.339 0.721 0 CA-C-N 120.181 1.355 . . . . 0.0 114.326 -178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.87 120.01 32.2 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 126.504 1.922 . . . . 0.0 108.357 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -71.38 137.73 48.61 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 170.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.6 t -135.01 110.69 12.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.89 142.28 57.96 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.321 0.581 . . . . 0.0 110.21 168.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.6 mt . . . . . 0 C--O 1.224 -0.266 0 C-N-CA 124.537 1.135 . . . . 0.0 110.338 -168.463 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.9 tp . . . . . 0 C--O 1.224 -0.247 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.1 m -144.21 132.12 21.48 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.824 0.85 . . . . 0.0 109.074 -172.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.9 t -64.88 148.71 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 170.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.28 29.0 72.08 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-O 118.719 -1.045 . . . . 0.0 111.78 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -122.38 158.83 28.8 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -96.94 134.92 39.66 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.777 1.231 . . . . 0.0 110.346 176.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.0 m -142.47 143.31 26.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 124.427 1.091 . . . . 0.0 108.905 -169.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.37 141.55 41.47 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 165.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -138.61 133.17 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 124.727 1.211 . . . . 0.0 109.619 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -86.88 132.95 33.67 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 166.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.2 t -66.35 117.11 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 167.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.3 tp -101.06 -34.38 9.76 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 123.62 0.768 . . . . 0.0 111.371 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.43 162.25 40.8 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 124.749 1.22 . . . . 0.0 108.926 173.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 CA--C 1.533 0.325 0 C-N-CA 124.809 1.243 . . . . 0.0 107.961 166.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 69.5 mt . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 m -106.35 147.35 29.33 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 170.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.6 mt -133.86 166.71 22.04 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.782 0.833 . . . . 0.0 109.976 -168.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.3 t -133.45 146.01 50.77 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 168.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.7 mm -104.4 -45.82 9.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 126.449 1.9 . . . . 0.0 108.082 174.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -57.29 -27.63 62.3 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 123.908 0.883 . . . . 0.0 112.613 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 117.493 -1.241 . . . . 0.0 114.268 177.695 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 . . . . . 0 CA--C 1.529 0.151 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.0 m -51.48 135.92 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 124.571 1.148 . . . . 0.0 111.997 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.95 -9.68 59.57 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-O 117.832 -1.538 . . . . 0.0 113.878 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -65.1 163.18 15.41 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 119.597 1.699 . . . . 0.0 110.591 167.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.4 t -138.77 128.88 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -141.16 -175.2 4.24 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.997 1.319 . . . . 0.0 108.88 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.7 m -120.48 147.75 44.71 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.844 0.858 . . . . 0.0 108.821 175.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.6 -177.96 26.76 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 124.848 1.213 . . . . 0.0 110.168 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -121.52 136.57 54.94 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 117.598 0.699 . . . . 0.0 110.464 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 t -70.27 125.49 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -177.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -112.23 -9.24 13.92 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 125.228 1.411 . . . . 0.0 112.004 -171.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.74 169.35 42.04 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 169.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.4 mt -123.27 159.14 29.39 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 125.064 1.345 . . . . 0.0 108.278 170.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -148.13 159.74 43.62 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 126.25 1.82 . . . . 0.0 106.824 173.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.76 -5.82 1.03 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -131.48 5.1 4.35 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.686 -1.259 . . . . 0.0 114.395 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.69 178.74 39.44 Favored Glycine 0 CA--C 1.524 0.656 0 CA-C-N 119.878 1.217 . . . . 0.0 112.712 177.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -128.03 140.62 51.86 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.931 0.892 . . . . 0.0 109.748 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -85.27 139.93 31.23 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.8 t -134.93 118.82 25.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 174.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.48 148.85 27.9 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.536 0.735 . . . . 0.0 110.84 171.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.4 mt . . . . . 0 N--CA 1.464 0.261 0 C-N-CA 125.636 1.574 . . . . 0.0 110.693 -174.395 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.403 ' HG ' ' H ' ' A' ' 53' ' ' SER . 4.3 tp . . . . . 0 CA--C 1.533 0.292 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.403 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 49.3 m -150.06 125.56 10.25 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.734 1.213 . . . . 0.0 107.943 -170.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -61.34 148.3 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 O-C-N 121.218 -0.926 . . . . 0.0 110.741 165.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.49 32.26 67.94 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 118.911 -0.938 . . . . 0.0 112.001 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -127.15 161.86 27.49 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.821 0.848 . . . . 0.0 109.001 174.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -103.93 133.97 48.01 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.22 1.408 . . . . 0.0 109.552 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.3 m -144.91 141.97 23.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 C-N-CA 124.063 0.945 . . . . 0.0 109.217 -170.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -70.96 139.94 50.77 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 164.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -132.62 134.29 58.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 125.892 1.677 . . . . 0.0 109.205 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -88.59 131.31 35.01 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 166.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.95 115.46 2.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 123.626 0.771 . . . . 0.0 109.012 169.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.4 tp -91.61 -38.84 12.22 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 124.119 0.968 . . . . 0.0 111.235 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.63 158.49 39.77 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.947 1.299 . . . . 0.0 108.958 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 170.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.2 mt . . . . . 0 C--O 1.236 0.353 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.0 m -107.38 151.21 25.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 167.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.4 mt -135.49 168.73 18.68 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.302 1.441 . . . . 0.0 108.307 -167.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.9 p -146.13 154.62 42.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.327 -0.858 . . . . 0.0 109.991 175.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.1 mm -125.01 -27.9 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 C-N-CA 125.567 1.547 . . . . 0.0 110.358 -176.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -57.65 -23.17 49.93 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 120.442 1.473 . . . . 0.0 112.582 169.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.421 0 C-N-CA 124.675 1.19 . . . . 0.0 114.183 173.637 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--O 1.236 0.362 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.1 m -48.57 132.92 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 124.824 1.249 . . . . 0.0 111.862 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.97 -15.75 58.63 Favored Glycine 0 CA--C 1.529 0.918 0 CA-C-O 117.69 -1.617 . . . . 0.0 113.545 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -63.73 165.46 8.37 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 119.155 1.477 . . . . 0.0 111.075 177.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -139.41 125.9 23.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -145.05 -175.69 4.79 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 125.069 1.348 . . . . 0.0 109.426 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -122.21 147.7 45.86 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.743 0.817 . . . . 0.0 109.156 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.67 -177.67 30.03 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 125.361 1.458 . . . . 0.0 110.295 -174.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -126.73 134.2 50.71 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 117.865 0.833 . . . . 0.0 110.138 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 t -71.67 124.27 27.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -174.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -107.24 -12.75 15.3 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.762 1.225 . . . . 0.0 112.647 -174.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.57 164.1 34.89 Favored Glycine 0 C--N 1.334 0.425 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 170.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.0 mt -131.35 149.4 52.56 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 125.005 1.322 . . . . 0.0 108.036 175.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -154.93 157.46 37.78 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 -170.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.07 -19.61 13.72 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 175.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -106.73 -13.21 15.33 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.459 1.104 . . . . 0.0 112.785 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.22 174.19 28.62 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 119.653 1.115 . . . . 0.0 114.287 -176.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.3 127.69 55.62 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 126.063 1.745 . . . . 0.0 109.32 -173.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -78.04 142.62 38.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 170.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.11 119.49 12.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.71 145.63 51.77 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.188 1.395 . . . . 0.0 111.009 169.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--O 1.222 -0.362 0 C-N-CA 125.461 1.504 . . . . 0.0 107.262 170.048 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -141.22 133.57 28.19 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.072 1.349 . . . . 0.0 108.364 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.69 149.67 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 O-C-N 121.746 -0.596 . . . . 0.0 109.873 168.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.3 33.06 83.88 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-O 119.2 -0.778 . . . . 0.0 111.704 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -124.87 161.49 26.45 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 123.978 0.911 . . . . 0.0 108.551 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -102.81 133.5 47.77 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.632 1.173 . . . . 0.0 108.722 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.6 m -143.02 142.83 25.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 C-N-CA 124.366 1.066 . . . . 0.0 109.114 -170.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -79.63 135.4 36.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 167.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.2 m -126.18 147.66 30.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 125.989 1.715 . . . . 0.0 109.244 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -99.16 130.98 45.51 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 167.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.59 117.4 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 170.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.0 tp -98.16 -35.65 10.31 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.558 0.743 . . . . 0.0 111.188 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.26 164.15 38.0 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.2 1.4 . . . . 0.0 108.903 173.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.9 t . . . . . 0 C--N 1.327 -0.383 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 174.864 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.8 mt . . . . . 0 C--O 1.234 0.239 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 m -90.08 143.61 26.62 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 168.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.2 mt -129.49 163.82 25.08 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 123.696 0.798 . . . . 0.0 109.302 -169.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.1 t -131.21 145.98 52.14 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.1 mm -121.4 -23.89 2.89 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 C-N-CA 126.417 1.887 . . . . 0.0 109.542 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -56.46 -30.63 63.13 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 121.595 1.998 . . . . 0.0 111.745 169.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 172.169 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 CA--C 1.529 0.162 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.5 m -53.94 125.19 7.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.703 0.763 . . . . 0.0 110.436 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.33 -14.98 59.32 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-O 118.281 -1.288 . . . . 0.0 112.895 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.0 p -62.06 156.83 20.34 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.494 1.647 . . . . 0.0 110.023 171.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.27 127.61 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -142.07 -170.01 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.217 1.407 . . . . 0.0 109.153 -174.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -124.3 148.58 47.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.15 -176.08 26.95 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -127.08 136.13 51.73 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 117.571 0.685 . . . . 0.0 109.521 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 t -71.78 126.01 31.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 -173.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -113.04 -8.95 13.61 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 124.853 1.261 . . . . 0.0 112.575 -173.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.34 160.83 33.75 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 169.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.9 mt -134.96 145.41 48.13 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 175.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -154.57 158.44 39.79 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 125.266 1.426 . . . . 0.0 108.229 -172.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.19 -3.88 1.49 Allowed 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -128.53 -1.26 5.54 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.419 1.088 . . . . 0.0 113.205 177.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.89 174.88 38.48 Favored Glycine 0 C--N 1.34 0.798 0 CA-C-N 120.784 1.629 . . . . 0.0 114.275 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.05 122.81 35.42 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.844 1.658 . . . . 0.0 107.872 -176.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -78.04 139.35 39.1 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 t -134.75 114.27 17.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.38 144.11 44.54 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 172.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.1 mt . . . . . 0 C--N 1.326 -0.424 0 C-N-CA 125.504 1.521 . . . . 0.0 110.373 -170.799 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 CA--C 1.533 0.305 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.0 m -150.14 132.94 15.98 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 123.804 0.842 . . . . 0.0 109.186 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.02 148.03 12.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 172.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.49 28.27 72.57 Favored Glycine 0 CA--C 1.526 0.737 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.182 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -125.43 163.13 23.29 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -100.37 137.67 38.48 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.765 1.226 . . . . 0.0 108.087 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.4 m -144.62 145.96 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 124.188 0.995 . . . . 0.0 109.421 -174.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -82.17 139.22 34.45 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 169.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.99 135.93 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 125.503 1.521 . . . . 0.0 109.138 -174.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -97.33 132.07 43.42 Favored 'General case' 0 N--CA 1.46 0.051 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 171.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.0 t -75.22 126.28 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 124.488 1.115 . . . . 0.0 108.576 174.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -116.54 -21.26 9.26 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.407 1.083 . . . . 0.0 112.688 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.35 155.71 39.24 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.441 1.019 . . . . 0.0 108.778 169.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 170.874 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 58.5 mt . . . . . 0 C--O 1.234 0.273 0 N-CA-C 104.936 -2.246 . . . . 0.0 104.936 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 m -101.45 139.24 37.39 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 169.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.6 mt -126.21 168.8 13.57 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 124.834 1.254 . . . . 0.0 108.425 -170.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 65.3 m -145.89 150.96 37.08 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 121.63 -0.668 . . . . 0.0 109.355 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.7 mm -117.18 -18.27 7.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 C-N-CA 125.386 1.475 . . . . 0.0 109.364 177.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -52.74 -31.2 36.79 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 119.593 -1.942 . . . . 0.0 112.007 169.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.476 0 C-N-CA 125.263 1.425 . . . . 0.0 113.143 176.24 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 N--CA 1.469 0.501 0 CA-C-O 117.94 -1.029 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.73 164.71 18.89 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 125.465 1.506 . . . . 0.0 108.646 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.98 151.69 27.25 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 125.304 1.442 . . . . 0.0 108.914 169.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -150.75 27.07 0.73 Allowed 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.03 1.332 . . . . 0.0 112.202 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -133.43 167.93 19.53 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.459 1.904 . . . . 0.0 107.219 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -143.85 147.98 34.84 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 123.711 0.804 . . . . 0.0 108.844 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 m -51.47 137.93 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 125.539 1.536 . . . . 0.0 111.421 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.15 -14.2 59.68 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-O 118.131 -1.372 . . . . 0.0 113.458 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.4 m -66.28 166.32 12.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 119.066 1.433 . . . . 0.0 110.984 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.0 t -139.15 127.9 28.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -145.12 172.72 12.69 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 124.823 1.249 . . . . 0.0 109.9 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 m -119.51 143.72 47.41 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 123.691 0.796 . . . . 0.0 109.02 -174.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.24 -172.97 24.23 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 125.131 1.348 . . . . 0.0 110.41 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -127.58 137.27 52.54 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 117.839 0.819 . . . . 0.0 110.523 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.3 t -71.16 124.86 28.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -175.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -108.3 -10.92 15.29 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.538 1.535 . . . . 0.0 112.682 -176.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -172.46 166.85 39.66 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 119.681 1.128 . . . . 0.0 111.066 171.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.4 mt -131.87 146.94 52.42 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.862 1.265 . . . . 0.0 108.07 172.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -146.29 159.72 42.96 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 126.26 1.824 . . . . 0.0 108.011 -176.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.43 -6.87 3.68 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -120.21 -6.19 9.91 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.357 1.463 . . . . 0.0 113.774 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.55 -175.29 41.29 Favored Glycine 0 CA--C 1.523 0.568 0 CA-C-N 119.895 1.225 . . . . 0.0 113.282 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.71 129.04 50.48 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 125.25 1.42 . . . . 0.0 108.447 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -78.53 139.81 38.61 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.7 t -135.64 126.05 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.57 125.7 29.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 166.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 mt -98.73 -34.58 10.47 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.587 0.755 . . . . 0.0 111.128 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -159.7 165.94 31.55 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.195 1.398 . . . . 0.0 108.257 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -54.38 -21.23 9.02 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.211 1.005 . . . . 0.0 112.881 171.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -119.78 10.53 11.66 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.064 1.346 . . . . 0.0 111.984 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.4 m -149.84 133.77 17.0 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.732 1.151 . . . . 0.0 111.128 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -150.63 132.89 15.44 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 -171.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.01 -179.31 16.51 Favored Glycine 0 CA--C 1.524 0.594 0 CA-C-N 119.015 0.825 . . . . 0.0 113.145 -175.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.5 tp -131.73 104.54 6.96 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 125.066 1.346 . . . . 0.0 108.363 -168.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.4 t -67.14 115.53 5.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 166.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -74.23 145.25 44.25 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.5 tt -56.83 -35.58 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.1 -1.0 . . . . 0.0 112.691 -175.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -66.17 -5.36 9.85 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.974 1.31 . . . . 0.0 113.672 175.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -123.86 0.35 8.6 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.121 2.168 . . . . 0.0 110.454 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.4 t -72.88 -39.88 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 O-C-N 120.737 -1.227 . . . . 0.0 110.921 173.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 86.5 m -152.67 159.58 43.18 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -60.2 -28.29 67.85 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -170.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 179.32 179.65 48.76 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.0 t80 47.74 43.29 16.72 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.276 1.431 . . . . 0.0 111.926 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 t -78.89 59.13 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.449 1.1 . . . . 0.0 109.256 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -53.93 -36.04 62.36 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.44 1.096 . . . . 0.0 113.349 -170.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -152.89 140.05 19.37 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 169.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.3 tt -66.6 -32.37 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 117.791 -1.099 . . . . 0.0 112.785 -173.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -19.03 65.74 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.556 1.071 . . . . 0.0 112.885 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -78.43 -4.34 47.84 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 122.677 0.391 . . . . 0.0 111.606 175.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -133.16 -21.97 2.05 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.826 1.25 . . . . 0.0 113.252 -169.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.2 mt -144.76 168.36 20.39 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.893 1.677 . . . . 0.0 109.157 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.7 m -140.53 128.94 22.59 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.014 1.326 . . . . 0.0 108.251 -176.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.3 p -64.34 149.06 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 O-C-N 121.244 -0.91 . . . . 0.0 109.98 168.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.53 33.29 80.96 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.293 -0.726 . . . . 0.0 111.84 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -126.47 159.79 32.35 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.928 0.891 . . . . 0.0 108.672 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -93.41 138.38 31.78 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.492 1.117 . . . . 0.0 109.354 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.8 m -143.75 148.36 18.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 124.943 1.297 . . . . 0.0 108.515 -173.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -102.47 129.96 49.14 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 171.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.7 m -124.06 147.64 28.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 126.293 1.837 . . . . 0.0 109.758 -169.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -97.14 131.54 43.8 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 168.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.3 t -67.5 117.42 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 125.093 1.357 . . . . 0.0 108.461 170.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -93.45 -41.01 10.03 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 122.63 0.372 . . . . 0.0 111.217 173.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.01 151.64 25.58 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.319 1.447 . . . . 0.0 108.166 -174.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.2 t -124.06 145.09 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -131.66 77.2 1.76 Allowed 'General case' 0 C--O 1.235 0.312 0 C-N-CA 125.419 1.488 . . . . 0.0 108.449 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -54.37 -24.24 18.77 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 126.203 1.801 . . . . 0.0 112.636 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -55.78 -34.11 64.98 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.185 0.994 . . . . 0.0 111.204 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -128.99 -0.05 5.27 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.48 1.112 . . . . 0.0 112.408 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.15 25.11 65.99 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-N 118.463 0.574 . . . . 0.0 112.714 -171.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -86.75 163.43 17.3 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 118.243 1.022 . . . . 0.0 109.885 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 17.9 mt -143.52 135.36 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.5 m -85.1 136.39 33.58 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 166.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.3 mt -128.27 164.4 22.66 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.617 0.767 . . . . 0.0 110.54 -168.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.4 t -133.14 153.37 51.59 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.712 1.205 . . . . 0.0 109.829 171.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.9 mm -124.4 -29.75 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 127.735 2.414 . . . . 0.0 109.93 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -57.99 -35.94 71.92 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 120.185 1.357 . . . . 0.0 110.847 169.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.7 -48.65 80.4 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 122.879 0.472 . . . . 0.0 111.393 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.7 p -82.24 -36.08 27.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.343 0.52 . . . . 0.0 111.715 -170.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.21 -31.12 72.19 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.926 0.785 . . . . 0.0 111.468 174.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.85 -28.66 61.7 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 175.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.6 149.12 96.99 Favored Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 118.609 0.64 . . . . 0.0 111.625 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.4 174.13 11.33 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 122.851 2.367 . . . . 0.0 110.942 169.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -148.08 173.66 12.71 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 123.954 0.902 . . . . 0.0 110.236 171.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -59.42 121.25 11.03 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 171.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -82.95 62.08 6.31 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 124.576 1.15 . . . . 0.0 109.5 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -138.21 156.45 47.69 Favored 'General case' 0 C--O 1.246 0.901 0 C-N-CA 125.506 1.522 . . . . 0.0 108.01 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.5 m -58.74 147.56 32.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 122.589 1.185 . . . . 0.0 111.899 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -141.69 158.58 62.5 Favored Pre-proline 0 N--CA 1.467 0.398 0 C-N-CA 126.232 1.813 . . . . 0.0 107.26 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -48.8 -29.08 14.04 Favored 'Trans proline' 0 CA--C 1.535 0.541 0 C-N-CA 124.614 3.542 . . . . 0.0 117.508 -169.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -110.76 -5.47 14.96 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 117.674 -1.155 . . . . 0.0 113.992 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -55.47 -33.58 18.61 Favored Pre-proline 0 CA--C 1.54 0.561 0 CA-C-O 116.436 -1.745 . . . . 0.0 114.414 168.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -57.51 -15.02 18.33 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.777 2.318 . . . . 0.0 115.461 169.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.8 tptt 49.63 52.75 13.97 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.685 1.594 . . . . 0.0 110.695 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.62 -18.25 28.8 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -176.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.19 -17.93 62.94 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 173.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -57.57 150.04 20.02 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.0 0.818 . . . . 0.0 111.463 174.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.3 m -133.05 6.2 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.254 1.422 . . . . 0.0 111.99 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 m -145.25 161.35 39.77 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.446 1.499 . . . . 0.0 108.946 -177.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.95 145.07 51.79 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.128 0.571 . . . . 0.0 110.0 171.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -72.56 9.54 1.05 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.061 1.745 . . . . 0.0 113.275 -174.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.06 137.24 51.59 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.688 1.195 . . . . 0.0 111.522 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.0 m -72.35 -18.41 61.76 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.708 1.203 . . . . 0.0 112.227 174.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.416 ' HG1' ' N ' ' A' ' 110' ' ' THR . 1.0 OUTLIER -144.89 159.84 48.84 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 124.987 1.315 . . . . 0.0 109.839 -169.555 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -81.6 -28.43 2.22 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.626 2.217 . . . . 0.0 112.484 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -78.17 -12.4 59.99 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.25 1.02 . . . . 0.0 112.845 -173.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 174.97 172.79 40.23 Favored Glycine 0 C--O 1.222 -0.6 0 C-N-CA 125.842 1.687 . . . . 0.0 108.913 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -61.14 -35.86 78.23 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.386 1.093 . . . . 0.0 111.507 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -152.2 121.18 6.61 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 168.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.416 ' N ' ' HG1' ' A' ' 104' ' ' THR . 0.2 OUTLIER -141.91 27.15 1.83 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.91 0.884 . . . . 0.0 110.263 -168.326 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -52.67 135.93 33.99 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 118.727 0.694 . . . . 0.0 112.106 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -169.94 173.43 6.06 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.551 1.54 . . . . 0.0 109.415 -169.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -140.52 -43.97 0.4 Allowed 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.746 0.654 . . . . 0.0 111.274 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.03 -23.76 66.65 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.393 -0.817 . . . . 0.0 112.916 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 24.1 tp -134.85 42.62 2.79 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.558 1.143 . . . . 0.0 109.204 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -73.25 65.99 0.87 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 122.634 1.206 . . . . 0.0 110.83 167.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -145.62 164.41 31.81 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 127.709 2.404 . . . . 0.0 107.24 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 37.3 m95 64.1 176.15 0.18 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 127.02 2.128 . . . . 0.0 112.203 -172.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.6 tt -146.3 -31.05 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.455 1.102 . . . . 0.0 112.206 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -133.61 18.67 3.91 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.914 0.864 . . . . 0.0 110.002 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 65.3 mtt -142.48 160.94 39.3 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 126.135 1.774 . . . . 0.0 107.807 177.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.6 m -147.95 162.77 38.65 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.732 1.613 . . . . 0.0 108.33 175.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -62.35 147.32 48.71 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.81 -0.556 . . . . 0.0 110.539 170.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.1 mmt85 -66.04 164.09 16.04 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.458 0.703 . . . . 0.0 110.836 172.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -56.02 148.83 16.64 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 167.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -55.37 -26.2 39.79 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 33.0 tp -54.97 -15.19 1.83 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.838 1.655 . . . . 0.0 114.195 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 11.0 tp -55.23 -36.13 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 O-C-N 120.549 -1.344 . . . . 0.0 112.381 167.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -68.38 135.33 51.62 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 118.776 0.716 . . . . 0.0 109.118 176.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt . . . . . 0 C--O 1.252 1.201 0 CA-C-O 116.907 -1.521 . . . . 0.0 108.404 -179.283 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.471 0.616 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.78 149.23 40.57 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 123.679 0.612 . . . . 0.0 110.916 175.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.4 -11.67 60.55 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.264 16.9 ptpt 53.47 17.08 1.03 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 127.155 2.182 . . . . 0.0 115.467 177.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -140.64 161.48 37.67 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 125.936 1.695 . . . . 0.0 107.621 172.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -141.96 146.06 35.21 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.675 1.19 . . . . 0.0 107.883 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 32.8 m -55.52 141.69 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 124.379 1.072 . . . . 0.0 111.718 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.62 -16.01 43.21 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 118.251 -1.305 . . . . 0.0 113.166 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -65.86 165.81 12.32 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.747 1.273 . . . . 0.0 110.546 171.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -146.49 129.67 9.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -142.12 -171.77 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.102 1.361 . . . . 0.0 109.154 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 m -117.9 150.69 38.79 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.32 -178.98 30.1 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 124.587 1.089 . . . . 0.0 110.587 -177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.61 124.04 32.76 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -172.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.4 t -66.57 127.95 28.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 C-N-CA 124.005 0.922 . . . . 0.0 108.542 -174.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.36 -11.05 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.813 1.645 . . . . 0.0 112.596 -171.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.94 167.59 38.48 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 119.62 1.1 . . . . 0.0 110.899 169.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.9 mt -125.71 150.51 47.61 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 124.829 1.252 . . . . 0.0 107.972 173.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -145.87 161.63 39.57 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 126.096 1.759 . . . . 0.0 107.721 178.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.39 -4.97 3.05 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -131.51 6.06 4.4 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.907 1.283 . . . . 0.0 113.973 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.25 179.4 38.41 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 119.496 1.044 . . . . 0.0 112.842 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.73 135.09 49.68 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.729 1.212 . . . . 0.0 109.626 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -80.28 141.28 35.66 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 174.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 t -136.54 112.83 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 175.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.55 144.84 55.42 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 169.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.5 mt -122.21 -29.26 4.21 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 124.399 1.08 . . . . 0.0 110.553 -169.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.29 163.56 33.29 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 127.168 2.187 . . . . 0.0 106.776 -174.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.17 -15.88 4.42 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.335 1.454 . . . . 0.0 114.371 -173.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -137.71 17.02 2.88 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.762 1.225 . . . . 0.0 112.152 177.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 m -140.35 141.19 35.68 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 121.129 -0.982 . . . . 0.0 110.383 -174.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -155.41 154.82 32.53 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.571 1.548 . . . . 0.0 107.996 -169.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.03 179.9 20.23 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.9 tp -130.75 103.94 6.89 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 124.771 1.228 . . . . 0.0 108.654 -168.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.11 114.59 6.22 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 165.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -70.13 151.17 45.74 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 175.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.3 tt -55.69 -37.42 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 121.289 -0.882 . . . . 0.0 112.655 -173.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -67.06 -4.67 10.48 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.197 1.399 . . . . 0.0 113.244 177.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -121.19 -0.03 10.02 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.486 1.914 . . . . 0.0 110.549 -174.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.1 t -69.87 -43.0 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 O-C-N 121.297 -0.877 . . . . 0.0 110.653 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 84.8 m -146.52 145.94 30.33 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -175.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -77.03 53.7 0.97 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.445 1.898 . . . . 0.0 111.011 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -179.78 -173.75 45.11 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 125.548 1.547 . . . . 0.0 109.651 -176.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -58.94 153.68 16.89 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 117.038 0.419 . . . . 0.0 110.742 172.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.7 t -128.59 95.51 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -53.38 -47.88 69.1 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.625 0.77 . . . . 0.0 110.565 -176.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -156.1 145.42 20.74 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 126.599 1.96 . . . . 0.0 105.737 168.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.0 tt -60.24 -35.08 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 117.268 -1.349 . . . . 0.0 113.114 -174.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -17.2 64.3 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.882 1.219 . . . . 0.0 113.483 178.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -83.93 -5.04 59.14 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.246 0.475 . . . . 0.0 111.473 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -133.26 -17.29 2.36 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.811 1.244 . . . . 0.0 113.472 -169.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.43 ' HG ' ' H ' ' A' ' 53' ' ' SER . 4.7 tp -148.4 175.46 11.1 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.956 1.702 . . . . 0.0 108.762 169.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.43 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 46.6 m -149.41 128.29 12.58 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.159 0.984 . . . . 0.0 108.442 -172.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.0 p -62.81 148.5 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 O-C-N 120.962 -1.086 . . . . 0.0 109.88 166.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.56 33.1 64.02 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 118.841 -0.977 . . . . 0.0 112.0 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -126.72 163.43 23.55 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 123.862 0.865 . . . . 0.0 108.764 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -111.38 124.42 52.21 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.205 1.402 . . . . 0.0 107.664 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.6 m -137.3 146.41 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 124.348 1.059 . . . . 0.0 109.467 -168.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -83.63 137.38 33.83 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 170.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.9 129.63 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 125.999 1.719 . . . . 0.0 108.109 -169.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -87.73 133.64 33.81 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 170.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.7 t -68.34 115.79 7.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 170.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.6 tp -95.72 -38.52 10.31 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 123.446 0.698 . . . . 0.0 111.282 -177.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.57 159.12 42.09 Favored 'General case' 0 N--CA 1.461 0.107 0 C-N-CA 124.27 1.028 . . . . 0.0 108.982 177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.2 t -140.83 141.64 31.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 106.236 -1.765 . . . . 0.0 106.236 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -139.36 105.05 5.12 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 169.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -79.14 -14.01 59.37 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.809 -0.615 . . . . 0.0 112.574 -173.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -78.16 -44.94 24.53 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.96 0.8 . . . . 0.0 109.102 174.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.81 -28.83 68.68 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.821 0.848 . . . . 0.0 111.227 168.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.88 48.05 57.02 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.581 -1.007 . . . . 0.0 110.581 -169.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -133.73 158.5 43.14 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.85 1.26 . . . . 0.0 110.235 -172.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 64.6 mt -140.81 137.29 35.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 m -109.47 150.06 28.67 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 168.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.4 mt -132.23 167.81 19.17 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.001 0.921 . . . . 0.0 108.956 -170.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.3 p -136.93 146.46 45.48 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.441 0.697 . . . . 0.0 109.701 169.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.1 mm -115.32 -23.3 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 126.892 2.077 . . . . 0.0 109.192 174.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -58.01 -26.63 62.65 Favored 'General case' 0 CA--C 1.52 -0.208 0 O-C-N 120.573 -1.329 . . . . 0.0 112.944 170.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.47 -27.63 64.37 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 173.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.2 p -107.69 -22.9 12.32 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.658 0.783 . . . . 0.0 112.289 -170.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -65.27 167.38 8.44 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.396 1.078 . . . . 0.0 110.916 168.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 50.89 41.95 27.43 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.97 1.708 . . . . 0.0 112.683 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -147.62 161.26 36.21 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 125.637 1.575 . . . . 0.0 108.925 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.12 158.01 10.01 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 123.701 2.934 . . . . 0.0 113.447 173.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -137.72 107.58 6.29 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 170.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -57.37 -30.57 64.98 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.232 0.613 . . . . 0.0 112.566 -175.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -67.37 -12.9 61.36 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.02 155.6 34.14 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.153 0.888 . . . . 0.0 111.645 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.5 m -139.54 17.02 2.54 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.961 1.304 . . . . 0.0 111.443 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -140.96 161.66 52.57 Favored Pre-proline 0 CA--C 1.538 0.481 0 C-N-CA 125.833 1.653 . . . . 0.0 108.906 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -50.57 153.61 7.53 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 123.301 2.667 . . . . 0.0 112.497 170.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -155.0 143.33 20.39 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.686 1.194 . . . . 0.0 108.076 -172.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -62.94 145.96 95.91 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-O 117.649 -1.167 . . . . 0.0 110.104 -174.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.31 -37.69 60.68 Favored 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 123.474 2.783 . . . . 0.0 113.76 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -60.32 -11.72 7.28 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.77 23.82 3.64 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.86 1.264 . . . . 0.0 110.947 172.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -144.04 31.49 1.26 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.381 1.472 . . . . 0.0 110.661 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -57.94 157.26 7.98 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.842 1.257 . . . . 0.0 111.38 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.6 m -127.01 -5.11 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.399 1.079 . . . . 0.0 112.535 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.8 m -60.74 151.2 30.11 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.729 0.811 . . . . 0.0 110.8 172.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -155.38 166.77 32.53 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.935 1.294 . . . . 0.0 109.458 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -150.22 147.49 27.75 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.833 1.653 . . . . 0.0 106.971 172.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -153.66 169.73 22.59 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 125.011 1.324 . . . . 0.0 109.656 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.0 m -75.12 17.58 0.23 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.419 1.487 . . . . 0.0 113.162 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.9 p -55.35 155.52 9.55 Favored Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 125.598 1.559 . . . . 0.0 112.419 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -71.22 -35.74 8.17 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.25 1.966 . . . . 0.0 112.41 -174.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 53.43 19.12 1.53 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.812 1.245 . . . . 0.0 113.284 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 60.11 21.54 56.49 Favored Glycine 0 CA--C 1.539 1.566 0 CA-C-O 118.743 -1.032 . . . . 0.0 114.16 -174.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -154.99 -47.3 0.08 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.981 1.391 . . . . 0.0 111.667 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -71.97 -7.19 47.25 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.781 1.233 . . . . 0.0 113.019 171.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.0 m -40.45 121.66 1.46 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.187 2.195 . . . . 0.0 111.527 177.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.47 154.64 41.36 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.308 0.575 . . . . 0.0 110.437 -177.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -65.52 -22.63 66.74 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 170.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -49.83 115.67 1.48 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.139 1.376 . . . . 0.0 112.141 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 71.4 tttt 42.56 43.05 3.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.017 1.727 . . . . 0.0 112.572 -174.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 61.5 tp -134.97 -40.72 0.76 Allowed 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 124.358 1.063 . . . . 0.0 110.779 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -73.14 -22.86 60.44 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.506 0.669 . . . . 0.0 110.806 170.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -140.45 173.76 11.18 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.657 1.983 . . . . 0.0 107.479 173.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 20.0 m-90 -135.59 44.32 2.53 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 121.12 -0.988 . . . . 0.0 110.069 -170.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 41.9 pt -131.98 172.58 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 126.262 1.825 . . . . 0.0 109.82 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -77.87 -160.48 0.19 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.93 0.892 . . . . 0.0 110.234 175.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 66.0 mtt -59.36 -16.31 21.91 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 120.925 -1.109 . . . . 0.0 112.687 168.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.1 m -136.24 167.66 20.86 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.26 1.824 . . . . 0.0 108.496 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -73.4 58.21 0.55 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.768 1.227 . . . . 0.0 111.893 175.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -57.11 142.63 41.77 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.027 -1.046 . . . . 0.0 109.718 174.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -59.32 161.88 5.17 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 123.544 0.527 . . . . 0.0 110.71 173.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -139.92 -45.12 0.43 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.161 0.913 . . . . 0.0 110.517 172.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 68.4 tp -69.02 126.87 31.18 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 167.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 8.9 tp -156.2 157.34 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 125.468 1.507 . . . . 0.0 108.053 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -145.85 145.12 30.63 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.136 1.374 . . . . 0.0 107.559 172.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? . . . . . 0 C--O 1.254 1.308 0 CA-C-O 116.301 -1.809 . . . . 0.0 109.251 176.487 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 N--CA 1.47 0.55 0 CA-C-O 120.074 -0.012 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.83 -10.9 2.05 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.632 1.573 . . . . 0.0 112.411 176.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -142.97 -172.24 3.63 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.376 1.871 . . . . 0.0 108.553 174.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.4 ' HZ1' ' HG1' ' A' ' 31' ' ' THR . 94.9 mttt -58.7 -32.42 69.15 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.722 -0.611 . . . . 0.0 111.686 176.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.67 165.21 30.96 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 126.886 2.074 . . . . 0.0 108.56 -173.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.9 mp0 -143.67 171.32 14.35 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.534 1.134 . . . . 0.0 109.98 -174.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -49.52 136.43 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 124.792 1.237 . . . . 0.0 111.149 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.81 -11.41 64.53 Favored Glycine 0 CA--C 1.533 1.208 0 CA-C-O 118.474 -1.181 . . . . 0.0 113.658 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.6 m -65.79 161.37 21.05 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.109 1.454 . . . . 0.0 110.075 171.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.9 t -128.44 127.85 67.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 172.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -137.14 178.31 7.19 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.871 1.668 . . . . 0.0 109.335 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -128.44 141.78 51.29 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.95 -176.67 27.44 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 124.354 0.978 . . . . 0.0 110.942 -173.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.96 125.51 39.64 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -171.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 t -67.19 128.61 30.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.4 -11.96 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.647 1.579 . . . . 0.0 112.847 -172.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.29 167.63 39.34 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 119.381 0.991 . . . . 0.0 110.983 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.6 mt -130.06 148.24 51.89 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 125.131 1.373 . . . . 0.0 107.596 175.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -145.81 160.96 41.02 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.443 1.897 . . . . 0.0 107.043 -177.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.14 -5.97 2.68 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 175.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -124.54 -0.63 8.1 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.65 1.18 . . . . 0.0 112.969 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.93 -179.85 37.03 Favored Glycine 0 CA--C 1.526 0.731 0 CA-C-N 120.048 1.295 . . . . 0.0 114.467 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.48 126.23 48.76 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.17 1.788 . . . . 0.0 108.638 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -77.03 141.59 40.25 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 173.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.5 t -136.83 114.97 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.27 148.88 37.27 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.8 mt -131.86 -27.56 1.86 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 124.711 1.204 . . . . 0.0 111.105 -171.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -150.88 173.11 14.64 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 126.612 1.965 . . . . 0.0 106.818 171.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -60.57 -12.24 9.44 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 125.116 1.366 . . . . 0.0 112.494 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -144.36 17.74 1.7 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.37 1.868 . . . . 0.0 111.252 -174.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.4 ' HG1' ' HZ1' ' A' ' 4' ' ' LYS . 9.0 m -144.48 133.74 23.04 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -159.31 156.78 29.27 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.115 1.766 . . . . 0.0 107.099 -169.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.03 -177.67 22.57 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 172.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.0 tp -130.24 105.07 7.67 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.574 1.549 . . . . 0.0 108.804 -169.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.6 t -65.75 118.0 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 167.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -76.09 146.85 39.04 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 177.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.1 tt -55.1 -38.17 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 O-C-N 121.716 -0.615 . . . . 0.0 112.392 -173.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -66.15 -5.57 10.5 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.473 1.509 . . . . 0.0 113.277 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -121.12 3.28 10.43 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.083 1.753 . . . . 0.0 110.773 -173.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.3 t -75.46 -35.69 33.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 119.122 0.874 . . . . 0.0 111.092 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 82.5 m -155.78 153.52 29.97 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -80.22 55.14 2.13 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.011 1.325 . . . . 0.0 110.751 -177.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -168.59 -179.74 41.03 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 124.983 1.278 . . . . 0.0 110.051 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -69.79 103.74 2.26 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 176.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.2 t -75.09 75.99 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -56.3 -33.56 65.67 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.596 0.759 . . . . 0.0 112.544 -178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -151.94 136.6 17.01 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 169.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.9 tt -66.64 -33.73 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 118.57 -0.729 . . . . 0.0 112.798 -172.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -17.51 64.47 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.443 1.019 . . . . 0.0 112.245 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -83.02 -4.07 57.93 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.866 0.467 . . . . 0.0 111.358 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -133.17 -17.64 2.35 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.782 1.233 . . . . 0.0 113.776 -169.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' HG ' ' H ' ' A' ' 53' ' ' SER . 5.2 tp -145.68 178.09 8.41 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.766 1.626 . . . . 0.0 108.099 169.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.45 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 31.4 m -143.9 135.9 26.46 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.141 0.977 . . . . 0.0 108.893 -178.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.4 p -69.98 154.49 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 168.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.02 32.81 77.63 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-O 119.193 -0.782 . . . . 0.0 111.65 175.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -129.1 161.82 29.15 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -100.65 135.19 42.47 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.68 1.192 . . . . 0.0 107.804 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.9 m -142.44 145.63 23.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 C-N-CA 124.519 1.128 . . . . 0.0 108.877 -171.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -89.14 136.08 33.21 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 168.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.3 m -126.46 145.02 34.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 125.869 1.668 . . . . 0.0 109.495 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -101.08 132.61 46.45 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 168.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 t -67.56 131.06 33.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 172.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -112.25 -38.07 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.602 1.161 . . . . 0.0 111.302 -174.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.78 163.0 38.51 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.235 1.014 . . . . 0.0 109.4 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t -129.39 117.37 42.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 171.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -43.4 25.23 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.411 0.685 . . . . 0.0 110.748 -170.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 42.29 35.87 0.66 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 127.172 2.189 . . . . 0.0 114.108 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -136.53 -26.54 1.09 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.248 1.019 . . . . 0.0 111.863 169.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -108.58 -3.52 17.93 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 128.123 2.569 . . . . 0.0 108.844 169.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.59 49.37 56.34 Favored Glycine 0 C--N 1.34 0.8 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -130.29 165.39 22.56 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.088 0.944 . . . . 0.0 110.209 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 52.7 mt -140.09 127.63 24.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 104.647 -2.353 . . . . 0.0 104.647 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 m -88.82 142.63 27.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 174.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -128.27 170.52 12.94 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.969 1.308 . . . . 0.0 108.362 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.8 p -144.16 151.01 38.95 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 124.137 0.975 . . . . 0.0 109.807 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.2 mm -123.87 -29.66 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 126.189 1.796 . . . . 0.0 109.801 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -56.33 -29.83 61.8 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.465 1.484 . . . . 0.0 111.906 171.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.03 -56.17 24.94 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.872 0.869 . . . . 0.0 111.284 170.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.3 p -74.75 -31.24 61.74 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.873 0.469 . . . . 0.0 111.751 -172.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -62.05 -14.34 35.01 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.356 1.062 . . . . 0.0 112.025 169.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.97 30.32 5.69 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.082 1.753 . . . . 0.0 110.626 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.69 156.63 8.82 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.586 0.755 . . . . 0.0 111.565 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -54.88 -22.83 31.62 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 124.042 3.161 . . . . 0.0 115.711 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -144.52 148.43 34.47 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.676 1.19 . . . . 0.0 108.373 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -152.77 178.65 9.41 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.366 1.866 . . . . 0.0 108.657 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 171.08 14.55 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.674 1.189 . . . . 0.0 110.091 176.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -149.53 173.6 13.43 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.254 1.422 . . . . 0.0 109.186 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.5 p -148.61 145.43 27.78 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.154 1.381 . . . . 0.0 108.323 169.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -71.4 152.55 94.1 Favored Pre-proline 0 CA--C 1.537 0.478 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -67.09 154.82 73.25 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 122.151 1.901 . . . . 0.0 110.74 -176.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -101.63 11.41 38.96 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.841 0.856 . . . . 0.0 112.282 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -139.23 156.36 72.03 Favored Pre-proline 0 CA--C 1.537 0.443 0 C-N-CA 126.521 1.928 . . . . 0.0 106.81 169.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -65.35 165.22 23.03 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 121.923 1.749 . . . . 0.0 110.398 169.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -136.5 158.72 43.77 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.809 1.244 . . . . 0.0 108.831 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -139.96 19.66 2.47 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.314 1.046 . . . . 0.0 111.771 -175.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.25 -9.1 58.02 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -62.56 165.77 5.97 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.975 0.91 . . . . 0.0 111.538 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.7 m -137.22 167.9 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 126.62 1.968 . . . . 0.0 107.829 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.8 m -55.72 -34.41 65.11 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.656 0.782 . . . . 0.0 112.582 -176.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 34.0 mp0 -70.51 -10.18 58.54 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.192 1.397 . . . . 0.0 112.306 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -142.4 30.38 1.55 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.918 1.687 . . . . 0.0 109.484 -172.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.62 18.36 0.13 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.333 1.453 . . . . 0.0 113.782 -175.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 m -61.72 177.34 0.43 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.641 1.976 . . . . 0.0 111.92 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.9 m -51.31 137.14 30.05 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.648 0.779 . . . . 0.0 109.22 169.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -65.01 161.97 34.63 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.414 2.076 . . . . 0.0 111.244 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -60.75 -33.25 72.65 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 122.932 0.493 . . . . 0.0 111.195 175.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.46 179.32 41.8 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 124.561 1.077 . . . . 0.0 110.996 171.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -157.71 175.63 13.65 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 127.601 2.36 . . . . 0.0 107.023 171.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -64.27 148.01 51.16 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 118.254 0.479 . . . . 0.0 110.885 -172.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.3 p -119.74 -13.3 9.13 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.765 1.626 . . . . 0.0 111.73 -174.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 45.5 mt -75.41 134.93 40.8 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.691 0.796 . . . . 0.0 110.273 -171.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -66.65 -37.92 85.8 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.432 0.693 . . . . 0.0 110.921 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -148.31 158.85 44.34 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 125.832 1.653 . . . . 0.0 107.511 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -54.88 137.84 44.39 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 123.209 0.604 . . . . 0.0 111.533 -171.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.0 tp -143.33 -9.69 0.75 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.311 1.844 . . . . 0.0 110.85 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -67.67 -17.14 64.48 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.552 1.941 . . . . 0.0 111.38 176.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -139.68 167.95 20.92 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.038 2.135 . . . . 0.0 107.853 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -139.02 178.79 6.91 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.133 1.373 . . . . 0.0 109.445 -173.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 44.1 pt -67.97 0.62 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.893 1.277 . . . . 0.0 113.639 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -145.85 162.64 37.26 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 126.188 1.795 . . . . 0.0 107.369 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 15.4 tpt -61.42 -29.01 69.66 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.319 1.048 . . . . 0.0 112.094 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.7 m -56.98 154.97 8.73 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.804 1.242 . . . . 0.0 111.61 177.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -145.6 141.07 27.84 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.359 1.063 . . . . 0.0 108.86 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -144.78 158.25 43.86 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.834 1.654 . . . . 0.0 107.467 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -61.97 137.89 58.3 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 173.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.7 -25.78 65.07 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.108 0.563 . . . . 0.0 112.485 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 32.9 tp -56.38 -16.65 6.02 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.357 1.863 . . . . 0.0 114.216 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 26.8 pt -58.27 -26.44 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-N 119.772 1.169 . . . . 0.0 112.874 172.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -63.62 139.13 58.74 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.166 0.894 . . . . 0.0 109.986 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 26.3 pttm . . . . . 0 C--O 1.243 0.72 0 CA-C-O 117.318 -1.325 . . . . 0.0 110.334 171.928 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 117.545 -1.217 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.83 -35.53 80.21 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.29 0.95 . . . . 0.0 111.154 174.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.12 -178.57 6.12 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 126.349 1.86 . . . . 0.0 107.579 168.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -72.26 0.07 10.84 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 171.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -131.05 163.3 27.91 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 126.305 1.842 . . . . 0.0 107.567 167.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -139.5 159.76 41.43 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 124.259 1.024 . . . . 0.0 110.535 -174.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -52.91 130.67 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 124.891 1.276 . . . . 0.0 109.985 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.6 -16.64 60.19 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-O 118.469 -1.184 . . . . 0.0 112.89 178.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 m -64.36 160.24 19.39 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.56 1.18 . . . . 0.0 110.297 172.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.5 t -122.93 139.02 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 169.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -141.33 -170.65 3.12 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.913 1.685 . . . . 0.0 107.637 -174.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.0 m -133.94 151.36 51.45 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 175.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.14 -179.86 32.39 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 174.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.44 122.72 40.4 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.7 t -65.85 125.47 23.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 C-N-CA 124.383 1.073 . . . . 0.0 108.785 -174.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -110.44 -14.35 14.12 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 125.255 1.422 . . . . 0.0 112.911 -171.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.35 171.51 44.62 Favored Glycine 0 C--N 1.333 0.392 0 CA-C-N 119.779 1.172 . . . . 0.0 111.153 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.6 mt -132.37 152.99 51.22 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 124.922 1.289 . . . . 0.0 108.621 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -145.75 160.21 42.07 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 127.167 2.187 . . . . 0.0 106.911 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.71 -5.85 4.73 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -129.85 7.09 5.14 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.01 1.324 . . . . 0.0 113.966 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.62 178.28 39.62 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-N 119.982 1.265 . . . . 0.0 114.331 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.41 128.56 48.31 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 125.532 1.533 . . . . 0.0 109.373 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -76.44 144.01 40.2 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 173.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.3 t -138.95 122.72 19.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.05 117.19 17.5 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 167.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.2 mt -88.88 -34.36 17.0 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 123.189 0.596 . . . . 0.0 110.15 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -158.17 169.55 24.27 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.652 1.981 . . . . 0.0 107.72 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -54.05 -23.44 13.66 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.294 1.038 . . . . 0.0 112.766 169.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -133.45 24.81 4.11 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.814 1.246 . . . . 0.0 111.319 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.3 m -149.25 139.86 22.58 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 120.893 -1.129 . . . . 0.0 109.22 173.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -155.23 141.94 18.92 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 120.147 -1.595 . . . . 0.0 107.188 -169.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.7 -178.68 23.99 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-N 119.061 0.846 . . . . 0.0 113.685 178.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -131.64 110.58 11.02 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 124.987 1.315 . . . . 0.0 108.408 -169.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.91 121.29 19.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 166.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -75.01 143.68 43.45 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 119.723 1.147 . . . . 0.0 108.631 171.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.1 tt -52.5 -40.02 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -175.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.3 m -66.2 -13.82 60.9 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -107.68 9.12 29.27 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.964 1.705 . . . . 0.0 111.772 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.2 t -75.46 -35.69 33.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 O-C-N 120.787 -1.196 . . . . 0.0 111.34 173.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 t -160.75 160.74 31.68 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.98 0.912 . . . . 0.0 109.347 -175.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -73.49 -23.47 60.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.244 0.618 . . . . 0.0 111.808 166.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.44 165.82 51.56 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 123.24 0.448 . . . . 0.0 112.22 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -63.3 120.36 11.43 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 168.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.53 100.57 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 123.618 0.767 . . . . 0.0 110.122 174.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -60.4 -50.46 73.51 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 172.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -163.48 144.62 9.23 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 127.61 2.364 . . . . 0.0 105.117 169.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.0 tt -50.83 -37.97 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 120.923 -1.11 . . . . 0.0 113.728 -176.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -12.59 59.66 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.742 1.155 . . . . 0.0 114.033 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -87.82 -6.05 58.31 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.661 0.664 . . . . 0.0 112.081 174.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -134.03 -5.98 2.73 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.23 1.012 . . . . 0.0 113.123 -174.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.78 169.46 20.41 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.3 1.84 . . . . 0.0 107.933 173.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.9 m -141.14 130.99 24.33 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.267 1.027 . . . . 0.0 108.578 -177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.4 p -67.94 152.91 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 O-C-N 121.305 -0.872 . . . . 0.0 109.997 166.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.09 32.24 72.77 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 119.033 -0.87 . . . . 0.0 111.798 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -129.59 161.71 29.92 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -106.76 135.26 48.6 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 124.661 1.184 . . . . 0.0 109.043 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.7 m -144.89 141.47 23.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 124.427 1.091 . . . . 0.0 109.876 -168.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -76.11 136.43 39.84 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 166.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.67 135.17 51.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 125.21 1.404 . . . . 0.0 109.406 -173.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -84.98 136.41 33.61 Favored 'General case' 0 CA--C 1.523 -0.076 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 169.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 t -71.68 115.31 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.4 tp -100.13 -30.36 11.98 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.865 1.266 . . . . 0.0 111.527 -173.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.26 163.53 33.37 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.687 1.595 . . . . 0.0 108.484 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.9 t -131.91 143.4 40.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 170.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -138.45 71.53 1.39 Allowed 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.431 1.492 . . . . 0.0 108.874 -169.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -58.7 -19.62 41.5 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.666 1.186 . . . . 0.0 113.87 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -64.9 -24.48 67.54 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.602 0.761 . . . . 0.0 111.251 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -123.23 -4.35 8.42 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.114 1.366 . . . . 0.0 111.484 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.18 41.93 99.72 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -173.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -121.05 164.72 16.36 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 124.856 1.262 . . . . 0.0 109.775 -176.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.7 mt -139.98 143.6 29.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 m -101.57 149.45 24.09 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 167.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.6 mt -134.55 166.92 21.76 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.998 0.919 . . . . 0.0 109.782 -169.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.2 t -140.03 150.48 44.45 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 123.781 0.832 . . . . 0.0 109.344 173.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.4 mm -117.92 -32.49 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 C-N-CA 126.836 2.054 . . . . 0.0 109.352 173.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -58.39 -27.32 64.14 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 120.743 1.611 . . . . 0.0 111.738 171.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.1 -22.92 63.96 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 172.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.3 p -109.76 -31.42 7.45 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.719 1.145 . . . . 0.0 111.799 -173.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -142.06 110.85 6.2 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 126.467 1.907 . . . . 0.0 107.38 169.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.15 -37.07 64.02 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.224 0.61 . . . . 0.0 111.867 -172.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.406 ' C ' ' H ' ' A' ' 84' ' ' GLU . . . -134.16 158.28 75.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 C-N-CA 126.716 2.006 . . . . 0.0 107.128 167.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -69.16 21.65 0.15 Allowed 'Trans proline' 0 CA--C 1.548 1.202 0 C-N-CA 123.945 3.097 . . . . 0.0 114.183 -175.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.406 ' H ' ' C ' ' A' ' 82' ' ' ALA . 12.6 pt-20 -139.01 -5.41 1.48 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.74 2.016 . . . . 0.0 113.404 179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -154.59 142.64 20.23 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 120.12 1.327 . . . . 0.0 110.37 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -61.77 -48.78 79.15 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 122.668 0.387 . . . . 0.0 110.903 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -154.22 152.57 30.49 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 175.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.2 m -127.19 -18.76 4.47 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.499 1.52 . . . . 0.0 111.677 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -63.16 144.74 97.29 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 118.609 0.64 . . . . 0.0 110.194 175.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -70.92 176.79 7.16 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.586 2.191 . . . . 0.0 110.124 168.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -142.8 145.56 33.36 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 121.125 -0.984 . . . . 0.0 108.713 169.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -60.53 157.61 35.47 Favored Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 122.94 0.496 . . . . 0.0 110.475 171.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -62.01 160.96 27.69 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 122.56 2.173 . . . . 0.0 110.853 169.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -69.92 90.53 0.62 Allowed 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 168.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.75 25.28 2.83 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.07 1.348 . . . . 0.0 110.686 -171.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -139.96 151.43 45.52 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.634 1.174 . . . . 0.0 108.703 173.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -72.16 -14.06 61.72 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 41.2 t -69.59 -45.62 77.58 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 C-N-CA 123.599 0.76 . . . . 0.0 110.593 -170.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 p -71.5 155.78 40.19 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 118.29 0.495 . . . . 0.0 111.076 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -144.64 165.3 28.41 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.001 1.321 . . . . 0.0 109.422 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -144.12 172.42 12.92 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.124 1.37 . . . . 0.0 109.407 -171.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.45 21.53 7.18 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.127 1.371 . . . . 0.0 111.649 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.8 m 57.09 23.28 8.3 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.367 1.467 . . . . 0.0 113.119 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.3 p -63.23 156.44 68.95 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 125.281 1.432 . . . . 0.0 111.875 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.43 -12.37 20.69 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.093 2.528 . . . . 0.0 113.612 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -50.22 129.21 20.93 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.113 0.965 . . . . 0.0 110.728 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 79.5 6.05 89.08 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 118.359 -1.245 . . . . 0.0 113.782 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.7 t80 63.6 -56.64 0.2 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 128.731 2.813 . . . . 0.0 114.247 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -150.79 157.2 42.64 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.541 1.536 . . . . 0.0 107.569 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.5 m -48.02 115.05 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 126.371 1.868 . . . . 0.0 110.083 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -59.08 141.79 53.14 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.294 0.569 . . . . 0.0 111.747 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -142.63 130.26 21.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.3 t70 58.63 -15.21 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 128.429 2.691 . . . . 0.0 116.657 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -139.25 170.01 16.73 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.539 1.935 . . . . 0.0 108.681 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 48.8 tp -52.82 154.23 2.89 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.6 1.16 . . . . 0.0 110.613 166.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -51.18 140.75 15.82 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.585 0.354 . . . . 0.0 111.756 169.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -163.41 161.15 24.22 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.824 1.25 . . . . 0.0 107.757 -174.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 49.0 p-90 -61.2 -24.99 66.73 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.7 pt -60.18 158.02 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 124.317 1.047 . . . . 0.0 112.008 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.7 153.6 27.76 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.887 0.851 . . . . 0.0 111.044 170.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 22.6 mmt -128.79 -1.33 5.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.061 2.144 . . . . 0.0 111.297 176.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.4 m 65.49 -178.07 0.18 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.444 1.898 . . . . 0.0 112.312 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -152.39 152.55 32.18 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.009 -1.057 . . . . 0.0 109.127 -175.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -144.93 158.1 43.92 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.893 1.677 . . . . 0.0 107.179 172.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -54.82 -40.38 69.51 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.074 0.55 . . . . 0.0 111.714 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -152.16 162.77 40.62 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 125.308 1.443 . . . . 0.0 108.005 171.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.4 mt -140.6 150.1 43.18 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.69 1.596 . . . . 0.0 108.568 177.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 20.9 tt -54.09 136.86 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 123.596 0.758 . . . . 0.0 111.161 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -139.89 134.38 31.56 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 124.77 1.228 . . . . 0.0 108.605 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 64.8 tttm . . . . . 0 C--O 1.243 0.713 0 O-C-N 124.673 1.233 . . . . 0.0 108.509 167.082 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.472 0.643 0 CA-C-O 117.283 -1.341 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.81 169.11 23.59 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.409 1.084 . . . . 0.0 108.787 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.44 158.17 43.87 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.464 1.506 . . . . 0.0 108.907 174.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -69.8 -18.09 63.44 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -136.23 163.45 30.37 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.827 1.651 . . . . 0.0 106.864 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -140.71 147.22 38.88 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.96 0.904 . . . . 0.0 108.951 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 t -49.2 128.41 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 125.175 1.39 . . . . 0.0 110.408 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.95 -8.66 79.21 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 117.303 -1.831 . . . . 0.0 113.523 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 m -64.36 164.8 10.68 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.466 1.633 . . . . 0.0 111.074 170.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.1 t -140.04 130.6 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -138.67 179.17 6.63 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.481 1.113 . . . . 0.0 108.966 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.1 m -109.31 149.93 28.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 169.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.32 178.43 29.53 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 124.496 1.046 . . . . 0.0 110.901 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.78 120.69 31.27 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -173.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 t -62.21 120.09 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 123.969 0.908 . . . . 0.0 109.124 -176.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.06 -17.23 19.24 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.576 1.55 . . . . 0.0 112.186 -175.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.18 169.98 41.96 Favored Glycine 0 C--N 1.335 0.496 0 CA-C-N 119.859 1.209 . . . . 0.0 110.786 173.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.2 mt -126.38 149.05 49.47 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.374 1.069 . . . . 0.0 108.452 173.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -143.12 159.53 42.11 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.735 2.014 . . . . 0.0 106.391 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.67 -7.25 6.95 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -122.44 -0.41 9.27 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.788 1.635 . . . . 0.0 113.313 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.18 -179.36 39.1 Favored Glycine 0 C--N 1.339 0.701 0 CA-C-N 119.614 1.097 . . . . 0.0 113.906 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.94 122.94 39.27 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.488 1.515 . . . . 0.0 108.636 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -70.98 139.19 50.49 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 171.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.8 t -139.24 114.4 8.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 177.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.86 146.28 55.11 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.088 0.555 . . . . 0.0 110.952 166.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.6 mt -128.27 -33.42 2.15 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.031 0.933 . . . . 0.0 110.584 -169.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.4 163.98 38.42 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 126.407 1.883 . . . . 0.0 106.959 -175.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -56.33 -18.85 12.06 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.163 1.385 . . . . 0.0 113.409 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -131.3 13.71 5.08 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.011 0.924 . . . . 0.0 111.694 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.3 m -143.07 141.99 31.42 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 120.304 -1.498 . . . . 0.0 111.012 -172.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -143.48 173.24 11.81 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.878 1.271 . . . . 0.0 110.304 172.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.33 -171.7 13.82 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 172.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.5 tp -137.34 102.69 4.87 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 -169.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.6 t -60.56 115.15 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 165.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -75.1 136.68 41.12 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 173.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.0 tt -52.96 -35.41 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 123.93 0.892 . . . . 0.0 113.091 -174.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -61.0 -17.39 51.8 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.254 1.021 . . . . 0.0 112.959 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -123.83 12.96 9.18 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.521 1.128 . . . . 0.0 111.427 -174.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.0 t -65.42 -34.45 70.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 O-C-N 121.388 -0.82 . . . . 0.0 111.885 170.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.768 ' HG1' ' HD1' ' A' ' 51' ' ' HIS . 99.7 m -151.77 151.76 31.8 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -75.5 41.67 0.2 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.525 1.53 . . . . 0.0 112.528 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -174.37 175.8 46.72 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.884 1.707 . . . . 0.0 109.604 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -59.41 113.24 2.09 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.226 0.611 . . . . 0.0 110.174 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.96 126.29 21.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 169.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -63.36 -54.62 34.0 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -161.32 145.46 13.2 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 129.079 2.951 . . . . 0.0 103.437 168.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.5 tt -57.55 -36.3 53.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 117.007 -1.473 . . . . 0.0 113.349 -173.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -15.25 59.14 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 174.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -90.63 -2.98 57.85 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.544 0.611 . . . . 0.0 111.223 175.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.768 ' HD1' ' HG1' ' A' ' 41' ' ' THR . 25.7 m-70 -125.08 -20.15 4.98 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.537 1.135 . . . . 0.0 113.369 -177.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt -145.68 169.08 19.17 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 126.578 1.951 . . . . 0.0 109.679 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 m -145.71 126.94 14.79 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.2 147.12 7.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 O-C-N 121.02 -1.05 . . . . 0.0 111.091 165.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.65 30.28 68.75 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.063 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -125.68 162.73 24.36 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.113 0.965 . . . . 0.0 108.63 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -108.46 131.71 54.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.952 1.301 . . . . 0.0 109.343 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.2 m -144.89 141.4 23.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 C-N-CA 124.381 1.072 . . . . 0.0 109.106 -168.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -70.3 138.65 51.7 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 163.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -134.78 137.03 51.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 125.877 1.671 . . . . 0.0 108.698 -177.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -92.21 134.03 35.26 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 169.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.55 113.47 2.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 C-N-CA 124.381 1.073 . . . . 0.0 109.9 167.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.1 tp -91.19 -36.06 14.17 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.8 0.84 . . . . 0.0 111.743 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.63 164.77 36.89 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.278 1.431 . . . . 0.0 108.783 172.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 p -149.28 143.93 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 124.059 0.944 . . . . 0.0 108.81 173.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -142.99 102.99 4.11 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 169.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -74.7 -19.33 60.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.082 0.953 . . . . 0.0 112.2 -174.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -75.29 -44.78 43.77 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.753 0.787 . . . . 0.0 109.482 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -68.85 -19.84 64.26 Favored 'General case' 0 C--O 1.243 0.712 0 O-C-N 121.124 -0.985 . . . . 0.0 112.312 169.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 61.13 50.98 61.38 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -171.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -133.73 150.1 51.49 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 123.645 0.778 . . . . 0.0 109.792 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.5 mt -142.24 114.27 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -76.98 144.7 38.55 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 166.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.8 mt -130.23 167.17 18.87 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 123.828 0.851 . . . . 0.0 110.113 -176.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 61.4 m -134.41 152.66 51.94 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.625 1.17 . . . . 0.0 109.365 173.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.8 mm -122.54 -20.05 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 125.231 1.413 . . . . 0.0 110.642 173.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -53.85 -28.85 38.44 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 119.912 -1.743 . . . . 0.0 112.38 167.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.76 -18.96 60.4 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 117.752 -1.118 . . . . 0.0 112.268 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.1 p -123.81 -15.16 7.03 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.11 0.964 . . . . 0.0 112.19 -168.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -141.77 153.85 44.84 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.168 0.987 . . . . 0.0 109.516 168.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -98.31 -16.52 19.33 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.717 0.807 . . . . 0.0 112.115 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.92 162.48 20.41 Favored Pre-proline 0 CA--C 1.538 0.507 0 C-N-CA 126.809 2.044 . . . . 0.0 108.135 -173.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -62.95 171.58 5.89 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.941 2.427 . . . . 0.0 111.206 169.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -54.31 152.57 6.2 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 122.764 1.269 . . . . 0.0 113.565 174.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.38 160.51 13.25 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.564 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -142.04 168.67 19.19 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.267 1.427 . . . . 0.0 109.504 171.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -58.88 144.96 42.84 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 123.71 0.631 . . . . 0.0 110.749 173.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.4 m -76.03 -32.11 59.19 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.422 0.689 . . . . 0.0 111.914 -176.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -148.46 65.85 8.81 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 124.84 1.256 . . . . 0.0 110.623 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -64.02 156.8 56.58 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 122.359 2.04 . . . . 0.0 110.666 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -158.48 -29.43 0.07 Allowed 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.924 0.89 . . . . 0.0 112.982 174.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -138.14 160.56 63.72 Favored Pre-proline 0 CA--C 1.531 0.247 0 C-N-CA 125.993 1.717 . . . . 0.0 108.014 174.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -54.38 161.21 5.76 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.3 2.666 . . . . 0.0 111.731 168.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -112.48 7.36 18.99 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.511 0.724 . . . . 0.0 112.406 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.53 162.7 4.73 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.608 0.763 . . . . 0.0 111.717 167.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.87 122.7 12.12 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.829 0.852 . . . . 0.0 110.916 173.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -137.76 -131.06 0.13 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.879 2.072 . . . . 0.0 105.573 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 30.7 m -54.11 -23.41 9.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 120.397 1.453 . . . . 0.0 113.398 168.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.3 p -48.83 -30.95 6.34 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 166.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -60.12 -18.04 44.5 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.477 1.111 . . . . 0.0 113.388 172.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -117.58 3.56 12.4 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.92 1.288 . . . . 0.0 110.689 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.3 1.45 9.49 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.142 -1.599 . . . . 0.0 114.197 174.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.9 m -72.33 20.01 0.07 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.996 2.519 . . . . 0.0 114.272 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.0 p -57.19 159.72 7.7 Favored Pre-proline 0 CA--C 1.547 0.846 0 O-C-N 120.525 -1.359 . . . . 0.0 112.34 170.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -47.4 127.0 12.77 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 124.033 3.156 . . . . 0.0 112.3 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -159.97 170.35 21.54 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 124.808 1.243 . . . . 0.0 110.171 -169.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -166.22 159.91 33.31 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 109.214 -1.554 . . . . 0.0 109.214 170.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -147.19 162.87 38.01 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.274 1.43 . . . . 0.0 108.52 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -146.18 133.83 21.03 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.88 1.272 . . . . 0.0 108.223 172.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.0 p -138.55 21.09 2.72 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.52 1.528 . . . . 0.0 111.4 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.0 tp -69.0 -35.45 76.71 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -170.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -71.57 157.73 37.48 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 122.623 1.201 . . . . 0.0 111.227 -175.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -58.14 129.42 41.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.351 -0.84 . . . . 0.0 108.856 170.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -57.42 -26.03 60.52 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 117.137 -1.411 . . . . 0.0 113.04 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.6 tp -60.44 -9.3 3.45 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.157 1.383 . . . . 0.0 114.65 170.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -130.92 -32.79 1.61 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.309 1.043 . . . . 0.0 111.293 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -70.91 -30.63 67.02 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.257 -0.902 . . . . 0.0 111.868 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 82.3 m95 39.09 58.76 1.78 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.266 1.827 . . . . 0.0 113.065 175.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 46.1 pt -74.94 27.79 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 C-N-CA 124.463 1.105 . . . . 0.0 113.342 172.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -63.74 139.4 58.76 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.509 0.724 . . . . 0.0 110.326 177.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 66.9 mtt -48.79 110.55 0.36 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.893 1.277 . . . . 0.0 112.101 -169.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.9 m 56.53 22.1 6.29 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.873 1.669 . . . . 0.0 113.598 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -67.6 -17.12 64.51 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -144.77 160.2 41.63 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.448 1.099 . . . . 0.0 108.998 168.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -64.22 -32.95 74.74 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 118.86 -0.59 . . . . 0.0 112.518 171.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -84.12 34.07 0.5 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 123.289 1.519 . . . . 0.0 111.08 -177.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.67 142.95 51.53 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 119.209 -2.182 . . . . 0.0 109.198 166.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 26.6 pt -57.36 140.85 15.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 124.907 1.283 . . . . 0.0 111.556 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -165.87 166.15 17.76 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 126.97 2.108 . . . . 0.0 108.17 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt . . . . . 0 C--O 1.249 1.069 0 CA-C-O 116.083 -1.913 . . . . 0.0 110.229 174.845 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.2 mmm . . . . . 0 N--CA 1.474 0.766 0 CA-C-O 117.891 -1.052 . . . . 0.0 108.682 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.88 167.49 27.36 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 125.565 1.546 . . . . 0.0 108.362 172.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.46 158.21 18.32 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 122.047 0.927 . . . . 0.0 110.668 172.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -78.24 6.17 8.76 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.252 1.205 . . . . 0.0 114.252 173.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -129.28 162.4 27.99 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.308 1.443 . . . . 0.0 108.225 168.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -141.78 161.95 36.68 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.879 1.272 . . . . 0.0 110.738 -173.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.7 t -52.6 132.74 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 125.001 1.32 . . . . 0.0 110.758 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.0 -18.31 56.35 Favored Glycine 0 CA--C 1.527 0.817 0 CA-C-O 117.92 -1.489 . . . . 0.0 112.882 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.3 m -64.24 159.03 21.65 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.364 1.582 . . . . 0.0 110.202 169.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.9 t -115.15 140.47 36.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 168.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -143.56 176.98 8.79 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.668 1.587 . . . . 0.0 107.932 -177.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -136.74 146.23 45.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -175.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.04 -172.75 28.78 Favored Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.34 125.52 38.9 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -174.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.5 t -66.15 127.42 27.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 C-N-CA 123.99 0.916 . . . . 0.0 108.748 -174.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -110.09 -12.48 14.51 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 126.11 1.764 . . . . 0.0 112.314 -173.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.79 169.25 41.9 Favored Glycine 0 C--N 1.333 0.387 0 CA-C-N 119.876 1.217 . . . . 0.0 110.848 171.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.7 mt -132.86 148.71 52.3 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 124.995 1.318 . . . . 0.0 107.928 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -146.54 163.58 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 126.594 1.958 . . . . 0.0 107.7 177.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.36 -4.99 2.1 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -127.7 0.75 6.12 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.5 179.53 41.39 Favored Glycine 0 C--N 1.34 0.775 0 CA-C-N 120.241 1.382 . . . . 0.0 114.107 174.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.13 121.09 31.85 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 126.412 1.885 . . . . 0.0 108.505 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -74.56 143.94 44.23 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 t -139.45 115.02 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.66 141.06 48.28 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 165.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.0 mt -123.7 -31.75 3.41 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.195 0.998 . . . . 0.0 110.205 -171.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -159.96 165.91 31.1 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 126.653 1.981 . . . . 0.0 106.555 177.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.49 -18.09 6.5 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 173.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -132.12 24.85 4.57 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.434 1.094 . . . . 0.0 111.054 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 m -145.84 135.53 23.32 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.387 -1.445 . . . . 0.0 110.175 171.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -156.08 151.88 27.33 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 126.13 1.772 . . . . 0.0 106.821 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.32 -172.11 21.22 Favored Glycine 0 CA--C 1.523 0.568 0 CA-C-N 118.319 0.509 . . . . 0.0 112.431 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.8 tp -135.0 109.98 8.78 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.39 1.476 . . . . 0.0 107.413 -168.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.5 t -70.93 119.64 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 164.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -74.64 147.57 41.45 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.668 1.122 . . . . 0.0 109.023 173.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.1 tt -56.27 -36.48 46.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 O-C-N 121.096 -1.003 . . . . 0.0 112.13 -174.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 m -66.79 -4.59 9.49 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.186 1.395 . . . . 0.0 113.224 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -119.86 1.88 11.01 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.114 1.765 . . . . 0.0 110.46 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t -77.29 -33.14 19.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 119.575 1.079 . . . . 0.0 110.83 176.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 t -151.53 156.46 40.58 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.292 1.037 . . . . 0.0 108.223 172.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -77.94 -16.12 58.44 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.9 0.88 . . . . 0.0 112.842 166.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.84 177.88 49.28 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-N 119.156 0.889 . . . . 0.0 112.155 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -65.59 101.98 0.67 Allowed 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 168.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.5 p -65.64 100.58 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 125.331 1.452 . . . . 0.0 109.002 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -66.47 -49.01 68.06 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.676 -0.64 . . . . 0.0 109.916 -170.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -158.12 144.76 17.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 104.439 -2.43 . . . . 0.0 104.439 168.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.1 tt -54.91 -36.42 37.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -172.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -18.43 64.45 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.361 0.982 . . . . 0.0 113.585 178.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -80.53 -11.46 59.66 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 118.615 0.643 . . . . 0.0 111.514 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -133.1 -11.92 2.88 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 120.78 -1.2 . . . . 0.0 113.459 -169.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 tp -146.45 175.86 10.24 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.522 1.529 . . . . 0.0 109.131 168.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.9 m -145.91 134.5 22.13 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.534 1.134 . . . . 0.0 108.518 -174.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.8 p -66.74 153.42 8.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 O-C-N 121.034 -1.041 . . . . 0.0 110.209 165.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.82 31.11 75.07 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.101 175.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -127.68 160.34 31.96 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 123.994 0.918 . . . . 0.0 108.551 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -92.32 138.74 31.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.725 1.21 . . . . 0.0 109.26 173.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.3 m -141.71 150.05 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 124.664 1.186 . . . . 0.0 108.752 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -108.18 127.9 54.23 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.0 m -124.14 149.12 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 126.219 1.807 . . . . 0.0 109.904 -168.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -98.17 132.74 43.43 Favored 'General case' 0 C--O 1.227 -0.119 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 164.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.47 138.44 23.1 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 65.7 tp -124.49 -31.58 3.24 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 125.026 1.331 . . . . 0.0 111.44 -172.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.92 158.9 41.4 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 168.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.5 t -135.02 134.02 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 168.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -146.99 91.75 2.04 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -70.22 -22.94 62.86 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.914 0.886 . . . . 0.0 112.208 -177.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -71.78 -42.6 66.92 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.305 0.957 . . . . 0.0 109.966 174.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -67.35 -27.89 67.5 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.128 -0.982 . . . . 0.0 111.237 168.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.48 36.91 32.55 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 125.43 1.49 . . . . 0.0 111.477 -176.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -139.87 164.97 28.55 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 118.828 1.314 . . . . 0.0 111.297 -173.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.0 mt -137.74 124.44 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.5 m -84.65 147.4 26.97 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 118.587 0.63 . . . . 0.0 109.527 167.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.9 mt -133.6 167.23 20.86 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 125.397 1.479 . . . . 0.0 108.249 -173.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.4 p -144.15 152.61 41.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.413 0.685 . . . . 0.0 110.402 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.3 mm -128.55 -31.53 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 126.083 1.753 . . . . 0.0 109.757 -174.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -56.58 -25.79 53.49 Favored 'General case' 0 C--O 1.223 -0.336 0 O-C-N 120.097 -1.627 . . . . 0.0 112.248 167.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.4 -22.18 63.72 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 173.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.7 p -117.7 -27.17 6.33 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.569 1.077 . . . . 0.0 111.872 -169.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -61.77 159.35 13.81 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.87 0.868 . . . . 0.0 110.618 170.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.08 157.69 43.65 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.996 1.718 . . . . 0.0 108.268 170.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.1 146.96 95.36 Favored Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 123.041 0.536 . . . . 0.0 111.055 172.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -69.8 164.86 33.0 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.673 2.249 . . . . 0.0 110.874 172.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -61.71 149.16 40.46 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 121.274 0.559 . . . . 0.0 110.195 167.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.74 57.99 1.06 Allowed 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.707 1.203 . . . . 0.0 111.374 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -52.4 -27.67 16.72 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 117.741 -1.123 . . . . 0.0 113.053 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -70.08 -20.41 63.22 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.612 0.765 . . . . 0.0 112.709 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -142.32 -24.76 0.66 Allowed 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -167.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.27 -55.0 22.06 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-O 116.76 -1.591 . . . . 0.0 113.263 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.46 152.56 81.14 Favored 'Trans proline' 0 C--N 1.351 0.71 0 CA-C-N 121.701 1.643 . . . . 0.0 110.457 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -91.47 -23.82 19.87 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 121.978 -0.451 . . . . 0.0 111.921 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -149.44 140.22 13.98 Favored Pre-proline 0 CA--C 1.534 0.332 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.05 159.87 8.98 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.339 2.026 . . . . 0.0 112.228 170.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -146.31 149.63 34.19 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.76 1.224 . . . . 0.0 107.724 171.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.47 154.52 20.5 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.969 0.508 . . . . 0.0 110.979 175.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.07 120.61 11.18 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 167.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -147.09 169.79 18.52 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.833 1.653 . . . . 0.0 108.295 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 35.7 m -57.8 168.59 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.219 1.008 . . . . 0.0 112.113 165.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.5 m -49.43 140.69 10.06 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.025 1.33 . . . . 0.0 111.317 177.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -152.18 155.75 38.42 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 125.031 1.332 . . . . 0.0 107.895 -171.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -144.68 1.0 1.01 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.843 1.657 . . . . 0.0 112.94 -173.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -136.94 158.48 44.37 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.03 1.332 . . . . 0.0 109.512 170.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.7 m 47.32 36.54 4.88 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 121.838 0.828 . . . . 0.0 111.998 -170.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.64 162.19 74.45 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 127.409 2.284 . . . . 0.0 111.752 -176.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.49 -23.07 32.42 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.594 2.196 . . . . 0.0 112.312 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -73.27 4.45 4.56 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.089 0.955 . . . . 0.0 113.349 169.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 109.24 169.94 20.56 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 125.29 1.424 . . . . 0.0 110.699 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -57.89 152.78 15.34 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 117.373 0.586 . . . . 0.0 111.233 169.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -144.63 131.65 20.4 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.249 1.42 . . . . 0.0 107.578 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.3 p -71.53 175.09 5.84 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.558 1.543 . . . . 0.0 112.313 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 64.7 tp -139.59 141.93 37.13 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 124.798 1.239 . . . . 0.0 107.976 172.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -140.49 162.59 34.97 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 125.351 1.461 . . . . 0.0 107.989 175.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -56.86 -28.61 61.95 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.608 1.163 . . . . 0.0 113.314 -173.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -126.03 20.34 7.61 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.932 0.893 . . . . 0.0 111.608 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.27 105.28 1.08 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 165.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.85 171.29 20.31 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.608 1.563 . . . . 0.0 106.965 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.97 -15.96 26.37 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.697 1.599 . . . . 0.0 113.892 -169.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -64.54 -21.48 66.7 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 171.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 7.1 pt -67.37 166.91 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 119.884 1.22 . . . . 0.0 111.389 176.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.35 142.68 39.67 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 168.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 76.4 mtm -149.9 144.92 26.21 Favored 'General case' 0 C--O 1.226 -0.179 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 40.9 m -63.5 -19.01 64.4 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 119.996 -1.69 . . . . 0.0 114.034 174.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -68.12 -33.71 75.01 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.395 0.998 . . . . 0.0 113.217 166.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -80.56 -30.61 37.02 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.267 1.427 . . . . 0.0 111.825 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -50.39 142.43 10.37 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.679 1.127 . . . . 0.0 110.71 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.09 -43.07 99.45 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.478 0.486 . . . . 0.0 110.515 169.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.25 69.98 4.54 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 165.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 19.9 tt -57.72 137.31 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 C-N-CA 124.499 1.119 . . . . 0.0 110.343 -175.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 27.5 tptt -148.94 141.39 24.26 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 107.948 -1.131 . . . . 0.0 107.948 173.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt . . . . . 0 C--O 1.259 1.584 0 C-N-CA 127.221 2.209 . . . . 0.0 107.268 170.757 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 C--O 1.215 -0.711 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 47.0 37.95 5.68 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.681 1.592 . . . . 0.0 113.667 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.9 156.37 33.63 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.138 0.575 . . . . 0.0 111.355 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -69.53 -15.03 63.16 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.439 0.696 . . . . 0.0 112.747 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -138.16 150.49 46.84 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.066 1.347 . . . . 0.0 107.806 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -144.64 149.51 35.82 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.989 1.316 . . . . 0.0 107.631 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.8 m -53.72 135.66 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 121.845 0.831 . . . . 0.0 110.909 -177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.16 -10.53 68.37 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-O 118.174 -1.348 . . . . 0.0 113.773 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 m -65.55 165.53 12.08 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 119.198 1.499 . . . . 0.0 110.274 169.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.6 t -141.25 130.94 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -140.75 -174.81 4.08 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.127 1.371 . . . . 0.0 109.595 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.0 m -123.62 147.28 47.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.37 -178.58 31.56 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 -172.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.07 122.29 31.78 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -171.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.03 122.25 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.29 -15.94 14.9 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 125.11 1.364 . . . . 0.0 112.558 -173.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.42 164.95 35.59 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 119.645 1.111 . . . . 0.0 111.081 173.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.8 mt -118.49 143.22 46.87 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 173.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -135.25 158.26 44.82 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 126.196 1.799 . . . . 0.0 107.984 -170.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.31 -1.56 0.78 Allowed 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -139.36 9.03 2.47 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 126.808 2.043 . . . . 0.0 112.364 -173.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.52 -167.49 33.55 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 120.179 1.354 . . . . 0.0 113.55 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.91 134.31 40.53 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 124.647 1.179 . . . . 0.0 109.672 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -79.24 142.29 36.35 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 174.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.95 115.08 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.09 140.89 57.61 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 169.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.6 mt -118.9 -32.69 4.42 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.819 1.248 . . . . 0.0 110.501 -169.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -154.81 170.09 22.45 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 125.941 1.696 . . . . 0.0 107.581 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.25 -13.19 16.77 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -175.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -135.94 20.02 3.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.905 1.282 . . . . 0.0 111.604 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.0 m -143.53 138.68 29.32 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.196 -1.565 . . . . 0.0 110.453 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -153.55 144.45 22.76 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 125.361 1.464 . . . . 0.0 107.128 -173.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.64 -178.5 15.7 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 124.025 0.821 . . . . 0.0 111.15 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.1 tp -133.25 114.34 13.68 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.619 1.167 . . . . 0.0 108.312 -169.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -80.36 118.11 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 166.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -72.72 148.03 45.06 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 121.329 0.585 . . . . 0.0 109.828 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.8 tt -52.19 -34.38 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.2 1.4 . . . . 0.0 113.298 -172.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -62.53 -15.46 50.68 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 124.624 1.169 . . . . 0.0 113.35 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -120.52 11.87 11.44 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.286 1.434 . . . . 0.0 111.053 -175.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.6 t -78.78 -29.16 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 O-C-N 120.538 -1.351 . . . . 0.0 111.557 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 t -164.39 161.49 21.62 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.945 1.298 . . . . 0.0 109.236 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -75.08 -22.5 58.28 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.37 0.668 . . . . 0.0 111.357 167.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.18 173.69 50.51 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 123.545 0.593 . . . . 0.0 111.938 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -64.71 148.21 51.54 Favored 'General case' 0 C--O 1.223 -0.296 0 O-C-N 121.738 -0.86 . . . . 0.0 110.22 168.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 p -152.77 69.86 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -59.26 -23.79 62.67 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -174.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -143.69 147.71 34.66 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 168.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.4 tp -51.81 -35.31 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-O 117.957 -1.02 . . . . 0.0 112.712 -174.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -17.56 64.62 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -176.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -71.03 -8.41 53.14 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.109 0.564 . . . . 0.0 112.037 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.41 ' CG ' ' H ' ' A' ' 52' ' ' LEU . 18.1 t-80 -142.5 -173.11 3.77 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.566 1.546 . . . . 0.0 109.576 170.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.543 ' HG ' ' H ' ' A' ' 53' ' ' SER . 5.3 tp 54.64 -169.62 0.07 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.9 1.68 . . . . 0.0 111.965 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.543 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 8.4 m -145.2 165.77 27.38 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 127.707 2.403 . . . . 0.0 106.435 173.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -121.62 152.23 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.778 1.231 . . . . 0.0 109.452 172.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.08 39.0 96.5 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -174.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -137.58 163.08 32.08 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.271 1.028 . . . . 0.0 108.761 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -93.03 139.48 30.49 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 124.487 1.115 . . . . 0.0 109.299 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.0 m -143.23 146.79 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 125.893 1.677 . . . . 0.0 109.03 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -88.48 137.63 32.15 Favored 'General case' 0 C--N 1.335 -0.061 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 167.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -133.49 133.12 57.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 125.658 1.583 . . . . 0.0 108.847 -169.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.06 137.48 32.31 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 169.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.52 112.28 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 169.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.4 tp -87.96 -40.06 14.22 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 123.952 0.901 . . . . 0.0 110.809 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.3 164.35 38.43 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.122 1.369 . . . . 0.0 109.495 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.2 p -136.82 148.88 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.278 1.431 . . . . 0.0 108.099 168.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -137.19 78.19 1.68 Allowed 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 125.498 1.519 . . . . 0.0 108.542 -169.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -56.55 -29.82 62.41 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.976 1.31 . . . . 0.0 111.962 -175.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -65.54 -14.24 60.65 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.591 0.756 . . . . 0.0 112.922 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -126.36 -9.98 6.36 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.877 1.271 . . . . 0.0 111.828 173.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.61 40.04 90.59 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -174.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -122.28 165.4 16.29 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.429 1.092 . . . . 0.0 110.632 -175.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 82.3 mt -138.29 141.84 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -173.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.8 m -108.97 149.83 28.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 168.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.5 mt -131.94 168.89 17.11 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.068 0.947 . . . . 0.0 109.657 -168.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 p -142.22 152.1 42.76 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.168 0.987 . . . . 0.0 110.093 172.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 23.5 mm -123.68 -32.38 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.348 1.859 . . . . 0.0 109.886 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -55.57 -25.75 39.75 Favored 'General case' 0 C--O 1.223 -0.334 0 O-C-N 120.466 -1.396 . . . . 0.0 112.414 169.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.07 -20.67 60.92 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.4 p -116.52 -21.85 8.99 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.385 0.993 . . . . 0.0 112.645 -169.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -56.5 150.06 15.97 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.884 0.849 . . . . 0.0 110.462 171.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.96 19.29 4.56 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.01 1.724 . . . . 0.0 111.079 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.99 161.36 37.27 Favored Pre-proline 0 CA--C 1.535 0.396 0 C-N-CA 127.405 2.282 . . . . 0.0 107.922 176.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -53.91 -34.86 78.08 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.049 2.499 . . . . 0.0 113.823 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -145.58 165.6 28.2 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 125.404 1.482 . . . . 0.0 107.619 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -68.6 74.21 0.26 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.733 1.613 . . . . 0.0 109.456 170.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -59.49 146.98 38.39 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 169.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.26 158.06 24.27 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.385 0.612 . . . . 0.0 110.442 171.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.5 m -57.3 150.21 18.55 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.914 0.886 . . . . 0.0 111.519 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.23 150.82 70.19 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-O 118.927 -0.559 . . . . 0.0 109.863 173.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -64.79 160.71 39.4 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.347 2.031 . . . . 0.0 109.6 169.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.54 2.37 3.21 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -175.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -62.09 138.6 95.92 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 168.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.27 143.0 82.07 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 121.354 1.37 . . . . 0.0 108.993 169.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -70.76 -38.88 73.49 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 122.073 -0.392 . . . . 0.0 110.416 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.76 161.3 30.06 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.27 0.628 . . . . 0.0 110.663 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.08 59.56 0.53 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.217 1.407 . . . . 0.0 109.64 166.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.795 HE21 ' HG ' ' A' ' 99' ' ' SER . 9.8 tt0 -80.62 -15.44 56.58 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.841 1.256 . . . . 0.0 111.287 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . 0.291 21.4 m 48.88 38.27 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 126.471 1.908 . . . . 0.0 112.904 175.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.795 ' HG ' HE21 ' A' ' 97' ' ' GLN . 4.8 m -76.91 29.28 0.13 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.078 1.751 . . . . 0.0 113.448 -175.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -136.62 179.57 6.29 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.587 1.555 . . . . 0.0 109.468 -177.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.88 -6.4 21.57 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.391 1.076 . . . . 0.0 112.836 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -144.68 171.35 14.51 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 126.521 1.928 . . . . 0.0 109.214 176.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.2 m -78.0 32.69 0.18 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.078 1.351 . . . . 0.0 112.088 174.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -54.51 41.83 Favored Pre-proline 0 CA--C 1.539 0.521 0 C-N-CA 125.625 1.57 . . . . 0.0 113.754 -178.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.12 135.74 25.67 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 CA-C-N 121.899 1.714 . . . . 0.0 109.635 173.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -141.91 152.98 44.07 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.271 1.428 . . . . 0.0 108.508 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 160.84 -159.57 31.14 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 -171.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -58.19 162.16 3.71 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.408 0.683 . . . . 0.0 111.064 168.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -151.01 155.16 38.46 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.826 1.25 . . . . 0.0 107.68 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.7 p -54.94 -33.66 62.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.5 tp -66.91 -47.71 70.91 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 119.774 1.17 . . . . 0.0 111.043 172.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.79 -30.31 65.58 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.37 0.532 . . . . 0.0 111.567 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.73 -17.25 61.63 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 177.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -137.01 -9.71 1.77 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 -169.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -59.47 169.25 1.3 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.197 1.362 . . . . 0.0 112.516 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -129.07 -2.09 5.15 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.445 0.698 . . . . 0.0 111.698 -177.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.72 -21.07 64.18 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.092 -1.005 . . . . 0.0 113.131 -172.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -59.17 -15.78 16.61 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.985 1.314 . . . . 0.0 114.134 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.2 pp -67.78 -14.41 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 120.008 1.277 . . . . 0.0 113.552 170.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -59.02 137.36 57.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 119.288 0.949 . . . . 0.0 109.731 175.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 26.4 mmt -54.41 -34.69 61.83 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.794 0.838 . . . . 0.0 112.876 -171.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.0 m -55.06 -20.41 9.52 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.728 1.611 . . . . 0.0 113.933 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -118.02 -35.08 3.95 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.186 1.394 . . . . 0.0 111.732 172.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -52.81 -30.27 32.36 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.734 1.214 . . . . 0.0 112.308 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -45.58 -24.34 0.33 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.342 1.457 . . . . 0.0 114.646 173.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -62.19 -16.56 53.89 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 175.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -55.04 157.63 3.23 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 122.829 1.299 . . . . 0.0 113.558 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 21.4 tt -151.82 153.91 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.208 1.803 . . . . 0.0 107.969 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.33 161.2 42.02 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.22 1.408 . . . . 0.0 110.513 175.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 62.1 tttp . . . . . 0 C--O 1.243 0.719 0 CA-C-O 116.95 -1.5 . . . . 0.0 109.515 176.425 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.468 0.469 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.72 22.72 3.11 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.103 1.361 . . . . 0.0 110.767 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -148.38 172.69 14.02 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 127.001 2.12 . . . . 0.0 107.913 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.526 ' HZ3' ' HG1' ' A' ' 31' ' ' THR . 55.2 mtmt -65.31 -12.56 53.03 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -138.81 158.85 43.47 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.854 1.261 . . . . 0.0 108.354 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -148.4 149.79 32.37 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.11 1.764 . . . . 0.0 107.294 170.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.0 m -45.38 132.36 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 124.488 1.115 . . . . 0.0 112.102 172.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.8 -13.4 64.46 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-O 117.61 -1.661 . . . . 0.0 113.797 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 m -65.06 164.18 13.41 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.929 1.364 . . . . 0.0 110.697 171.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.1 t -137.52 128.49 39.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -142.67 175.13 10.04 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.798 1.239 . . . . 0.0 109.592 -178.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -119.08 143.24 47.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.972 0.909 . . . . 0.0 108.552 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.57 -175.42 24.1 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 124.778 1.18 . . . . 0.0 110.628 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -124.95 135.68 53.05 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 124.138 0.975 . . . . 0.0 109.906 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 t -73.5 126.08 33.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -175.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -118.52 -7.82 10.56 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 125.045 1.338 . . . . 0.0 112.012 -168.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.47 167.94 40.74 Favored Glycine 0 C--N 1.333 0.404 0 CA-C-N 119.502 1.046 . . . . 0.0 110.574 170.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -137.05 148.21 46.65 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 124.659 1.183 . . . . 0.0 107.814 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -149.11 155.6 40.94 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 127.379 2.271 . . . . 0.0 106.324 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.95 2.01 0.81 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 172.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -125.33 0.31 7.7 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.406 1.482 . . . . 0.0 113.9 173.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.24 177.97 38.65 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-N 120.27 1.395 . . . . 0.0 114.486 173.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.62 118.31 27.86 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 126.353 1.861 . . . . 0.0 107.863 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -71.15 139.66 50.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 173.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.1 t -136.16 111.54 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.16 131.7 46.32 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.289 0.636 . . . . 0.0 109.32 168.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.6 mt -106.6 -28.23 10.37 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 124.454 1.102 . . . . 0.0 110.688 -168.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.433 ' C ' ' H ' ' A' ' 30' ' ' GLU . 25.7 t0 -144.8 21.03 1.64 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.612 0.765 . . . . 0.0 110.062 -175.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 62.62 -11.48 0.08 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 128.823 2.849 . . . . 0.0 114.795 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 28' ' ' ASP . 44.2 mt-10 -134.94 15.51 3.56 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.833 2.053 . . . . 0.0 109.331 176.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.526 ' HG1' ' HZ3' ' A' ' 4' ' ' LYS . 18.7 m -147.93 147.39 29.65 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 171.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -150.71 154.91 38.27 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 124.384 1.074 . . . . 0.0 109.576 -168.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.05 -175.65 14.16 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 169.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.3 tp -133.67 106.16 7.23 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.188 0.995 . . . . 0.0 108.482 -169.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.7 t -63.26 114.57 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 165.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -71.98 143.94 49.04 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 174.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.8 tt -54.22 -42.58 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -169.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -61.08 -27.31 68.26 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.508 -0.745 . . . . 0.0 112.071 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -90.1 0.92 56.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.451 1.501 . . . . 0.0 111.701 -177.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.0 t -72.02 -31.82 41.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 119.709 1.141 . . . . 0.0 111.21 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.9 m -152.81 148.8 27.62 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 -172.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -76.35 37.18 0.16 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.425 1.89 . . . . 0.0 112.522 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 176.89 -158.65 24.65 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -169.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -51.8 150.83 3.78 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.344 1.057 . . . . 0.0 112.022 177.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -152.52 54.39 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 126.201 1.8 . . . . 0.0 107.514 -176.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -50.62 -35.45 30.43 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -171.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -147.62 131.37 16.97 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 168.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.7 tt -62.14 -32.47 54.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-O 117.861 -1.066 . . . . 0.0 113.256 -172.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -13.6 62.08 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.78 1.173 . . . . 0.0 113.864 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -89.58 1.92 55.35 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.246 0.619 . . . . 0.0 112.153 172.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -135.98 -20.85 1.47 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.671 1.189 . . . . 0.0 113.13 -171.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 tp -146.3 -179.99 7.12 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.263 1.825 . . . . 0.0 108.498 168.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.0 m -146.96 133.48 19.77 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -174.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.49 152.76 9.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 O-C-N 121.278 -0.888 . . . . 0.0 110.617 169.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.94 31.67 81.69 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-O 119.257 -0.746 . . . . 0.0 112.003 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -125.12 160.21 29.64 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -98.0 135.25 39.98 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 124.543 1.137 . . . . 0.0 109.302 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.4 m -142.46 147.0 21.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 124.519 1.127 . . . . 0.0 108.57 -173.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.404 ' NE2' ' H ' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -98.54 132.51 43.9 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.55 0.74 . . . . 0.0 109.439 169.472 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 m -129.0 147.4 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 126.552 1.941 . . . . 0.0 109.309 -167.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -99.4 129.23 45.58 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 167.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.95 126.91 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 124.236 1.014 . . . . 0.0 108.753 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.2 tp -112.38 -32.02 6.63 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 124.392 1.077 . . . . 0.0 111.289 -173.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.07 157.72 42.01 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.398 1.079 . . . . 0.0 108.657 171.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 65.4 t -136.43 132.71 49.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 169.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -146.61 84.48 1.62 Allowed 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 176.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.03 -17.64 63.93 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.876 0.871 . . . . 0.0 112.76 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -71.07 -46.98 60.91 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.256 0.934 . . . . 0.0 109.682 173.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -68.96 -24.01 64.2 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.324 -0.86 . . . . 0.0 111.608 167.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.82 40.64 8.67 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 124.517 1.056 . . . . 0.0 111.648 177.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -144.49 169.01 18.78 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 122.383 1.087 . . . . 0.0 112.422 -173.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.2 mt -139.66 135.27 39.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.8 m -98.71 150.66 21.58 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 121.468 -0.77 . . . . 0.0 109.212 167.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.4 mt -135.62 171.03 15.04 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 124.594 1.158 . . . . 0.0 109.143 -170.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.5 p -145.9 151.33 37.69 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.197 0.999 . . . . 0.0 110.106 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 21.6 mm -122.22 -26.65 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 126.411 1.884 . . . . 0.0 110.414 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -55.47 -24.58 31.92 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 120.259 1.39 . . . . 0.0 112.694 167.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.32 -21.54 56.07 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 117.82 -1.086 . . . . 0.0 113.795 174.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.5 p -120.03 -19.69 7.73 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.361 0.982 . . . . 0.0 112.634 -168.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -139.43 172.79 12.3 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.507 1.523 . . . . 0.0 109.261 -174.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -142.47 166.11 25.56 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.47 1.508 . . . . 0.0 110.263 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.6 151.49 46.8 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 124.61 1.164 . . . . 0.0 109.903 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -71.56 168.82 22.53 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.824 2.349 . . . . 0.0 111.09 174.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.87 148.47 30.03 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.742 0.782 . . . . 0.0 110.492 167.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.99 123.98 36.11 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 172.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -95.1 -4.12 46.85 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 118.556 -0.735 . . . . 0.0 112.551 -171.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.52 158.98 13.79 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 124.496 1.118 . . . . 0.0 110.728 172.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.2 m -61.23 162.18 7.89 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.858 1.263 . . . . 0.0 111.924 172.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -133.88 151.73 77.4 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 124.652 1.181 . . . . 0.0 109.104 177.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -67.74 166.94 22.58 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.336 2.024 . . . . 0.0 110.232 171.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -57.66 -34.21 69.12 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -153.47 144.68 16.28 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 170.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -52.65 -31.63 50.95 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.139 2.559 . . . . 0.0 114.197 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -56.54 -18.27 11.17 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 175.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.71 -21.22 26.32 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 171.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.69 40.83 0.07 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.109 1.364 . . . . 0.0 113.118 172.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -142.55 -177.34 5.24 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.303 2.241 . . . . 0.0 108.861 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.1 m -124.86 -162.76 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.414 1.485 . . . . 0.0 109.081 173.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.9 m -62.31 -3.06 1.18 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.034 1.334 . . . . 0.0 114.419 177.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -147.31 167.58 23.94 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 127.634 2.373 . . . . 0.0 106.365 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -50.59 128.55 20.59 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.66 0.743 . . . . 0.0 110.092 169.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.31 16.7 0.43 Allowed 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -175.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.8 m 49.71 42.36 23.39 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.026 1.33 . . . . 0.0 110.979 -170.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -44.78 99.1 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.387 1.475 . . . . 0.0 114.578 -174.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -58.33 152.77 51.44 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.439 2.092 . . . . 0.0 112.281 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -152.86 168.97 24.01 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 124.57 1.148 . . . . 0.0 109.974 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -83.56 -170.42 46.36 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-O 121.525 0.514 . . . . 0.0 111.854 167.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -144.87 158.28 43.85 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.09 1.356 . . . . 0.0 108.739 175.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -45.12 -47.03 12.15 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.2 1.4 . . . . 0.0 113.012 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.4 m 59.31 -81.91 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.037 1.735 . . . . 0.0 111.014 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.0 mt -140.95 7.79 2.06 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.232 1.413 . . . . 0.0 112.31 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -57.54 -34.43 69.14 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.342 0.974 . . . . 0.0 111.75 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -141.77 168.51 19.59 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 126.988 2.115 . . . . 0.0 107.145 168.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -141.53 156.99 45.68 Favored 'General case' 0 C--O 1.225 -0.208 0 O-C-N 120.695 -1.253 . . . . 0.0 111.053 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 59.7 mt -148.22 169.63 19.64 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.223 2.209 . . . . 0.0 107.286 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.34 -41.61 85.0 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.785 0.803 . . . . 0.0 110.337 172.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -151.98 145.79 25.1 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 166.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 52.0 t-105 -59.92 -29.4 68.34 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.106 -0.996 . . . . 0.0 113.093 -168.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 30.6 pt -57.5 -22.94 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 176.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -64.07 -9.33 15.65 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.007 0.821 . . . . 0.0 112.791 -177.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -55.89 -26.02 45.32 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.1 -1.0 . . . . 0.0 113.219 167.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.4 m -140.47 -36.25 0.48 Allowed 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.289 1.036 . . . . 0.0 112.448 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -60.23 139.26 57.68 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 124.003 0.921 . . . . 0.0 110.995 174.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -141.42 162.17 36.13 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 125.406 1.482 . . . . 0.0 108.093 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -57.98 146.04 33.94 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 172.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -157.93 149.28 21.39 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 125.249 1.419 . . . . 0.0 108.202 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.7 tp -148.17 146.86 28.9 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.994 1.318 . . . . 0.0 108.462 174.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 44.6 pt -60.41 156.46 3.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 CA-C-O 122.62 1.2 . . . . 0.0 111.883 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -152.69 151.3 30.39 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.602 1.161 . . . . 0.0 108.297 173.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 62.1 pttt . . . . . 0 C--O 1.246 0.889 0 C-N-CA 125.839 1.656 . . . . 0.0 108.406 173.529 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 ttm . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.57 166.17 25.92 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.984 1.314 . . . . 0.0 109.236 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.5 173.93 13.51 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 125.216 1.406 . . . . 0.0 109.559 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -64.61 -14.9 60.01 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.355 1.062 . . . . 0.0 113.21 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -137.6 164.88 27.69 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 125.997 1.719 . . . . 0.0 107.783 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -146.98 148.5 31.78 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.343 1.057 . . . . 0.0 108.281 176.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.1 m -48.55 136.07 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 125.173 1.389 . . . . 0.0 111.499 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.95 -9.4 63.24 Favored Glycine 0 CA--C 1.533 1.16 0 CA-C-O 118.089 -1.395 . . . . 0.0 113.626 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 m -65.63 167.07 9.61 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 119.216 1.508 . . . . 0.0 110.339 169.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.7 t -140.11 127.98 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -142.34 170.29 15.99 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 124.227 1.011 . . . . 0.0 109.765 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 m -115.95 144.33 44.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.79 -174.65 25.87 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -173.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -126.9 136.96 53.03 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 123.508 0.723 . . . . 0.0 109.96 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.9 t -73.55 124.22 30.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -172.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -108.75 -9.6 15.22 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.923 1.289 . . . . 0.0 112.534 -173.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.59 165.12 36.34 Favored Glycine 0 C--N 1.334 0.471 0 CA-C-N 119.315 0.961 . . . . 0.0 110.947 169.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.8 mt -122.64 157.41 32.25 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 124.535 1.134 . . . . 0.0 108.064 169.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -147.97 164.51 33.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 126.191 1.796 . . . . 0.0 107.418 -176.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.06 -10.15 9.26 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 175.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -135.34 7.96 3.38 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.985 1.314 . . . . 0.0 113.729 -174.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.5 178.59 42.74 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-N 119.791 1.178 . . . . 0.0 114.068 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.33 119.43 21.71 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 126.166 1.786 . . . . 0.0 108.091 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -75.35 141.4 43.34 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 176.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.6 t -136.81 113.2 12.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.07 141.38 52.81 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.6 mt -121.52 -30.83 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 124.094 0.957 . . . . 0.0 111.604 -168.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -158.77 162.3 37.07 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 126.503 1.921 . . . . 0.0 107.218 -170.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -57.48 -16.67 10.27 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.44 1.096 . . . . 0.0 113.85 -172.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -131.0 8.84 4.81 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.105 1.362 . . . . 0.0 111.779 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 m -139.4 141.07 37.55 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 120.638 -1.289 . . . . 0.0 111.404 -169.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -147.34 155.84 42.36 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 127.059 2.144 . . . . 0.0 107.305 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.27 -179.47 17.52 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 170.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.4 tp -128.94 113.93 15.82 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 124.203 1.001 . . . . 0.0 108.673 -172.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.1 t -70.21 119.96 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 104.891 -2.262 . . . . 0.0 104.891 167.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -76.48 146.59 38.42 Favored 'General case' 0 CA--C 1.527 0.087 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 172.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.7 tt -52.07 -34.69 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.367 0.667 . . . . 0.0 112.64 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -59.41 -13.74 9.64 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.619 1.568 . . . . 0.0 113.49 177.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -123.85 7.21 8.7 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 125.93 1.692 . . . . 0.0 111.159 -173.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.0 t -77.39 -36.15 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 119.291 0.95 . . . . 0.0 110.685 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.0 m -154.01 144.52 22.34 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -74.23 -36.38 63.92 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.771 -0.58 . . . . 0.0 111.024 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.01 173.03 55.04 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 168.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -61.87 107.58 0.87 Allowed 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 122.899 0.48 . . . . 0.0 110.89 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 p -71.83 83.06 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 124.885 1.274 . . . . 0.0 107.926 167.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -57.29 -30.64 64.89 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -152.34 117.59 5.25 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 169.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.4 tt -53.31 -35.16 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.395 1.078 . . . . 0.0 112.473 175.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -66.81 -6.32 15.66 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.141 0.977 . . . . 0.0 112.793 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -114.13 1.54 14.61 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.81 1.244 . . . . 0.0 111.392 177.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -127.02 -12.5 5.84 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.32 1.448 . . . . 0.0 112.468 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.421 HD11 ' H ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -144.73 171.45 14.39 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 127.883 2.473 . . . . 0.0 106.433 173.032 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.639 ' HG ' HH12 ' A' ' 91' ' ' ARG . 73.9 m -158.57 127.73 5.59 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.708 0.803 . . . . 0.0 109.128 -174.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 p -63.78 150.17 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 123.31 0.644 . . . . 0.0 110.203 170.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.01 33.51 65.37 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.731 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -130.29 161.29 31.56 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.921 0.888 . . . . 0.0 108.914 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -94.72 137.28 34.02 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.617 1.167 . . . . 0.0 108.964 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.7 m -142.72 151.2 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.946 1.298 . . . . 0.0 108.718 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -103.57 130.46 50.99 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 171.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.91 146.45 32.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 126.338 1.855 . . . . 0.0 109.585 -169.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.74 137.51 33.73 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 167.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.7 t -68.88 113.16 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 170.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.7 tp -85.05 -43.31 14.04 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 124.042 0.937 . . . . 0.0 110.49 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.63 159.48 40.85 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 125.309 1.443 . . . . 0.0 108.838 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 66.5 t -132.57 138.78 51.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 173.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -141.61 57.75 1.51 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 125.25 1.42 . . . . 0.0 107.586 -176.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -61.48 -19.08 61.63 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.994 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.09 -38.71 87.25 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.076 0.55 . . . . 0.0 110.685 173.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -83.31 -49.37 9.45 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 168.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.18 36.41 0.95 Allowed Glycine 0 CA--C 1.525 0.693 0 C-N-CA 125.182 1.372 . . . . 0.0 111.403 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -134.02 171.57 14.02 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.04 1.42 . . . . 0.0 112.481 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 60.5 mt -140.35 145.51 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 m -110.77 150.6 28.87 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 168.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.5 mt -135.08 166.28 23.43 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.25 1.02 . . . . 0.0 109.351 -168.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 p -140.69 152.95 45.74 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.297 1.039 . . . . 0.0 110.255 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.7 mm -128.51 -33.92 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 126.482 1.913 . . . . 0.0 110.03 -173.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -56.82 -27.96 60.8 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 120.258 1.39 . . . . 0.0 111.714 169.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.8 97.96 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.362 1.065 . . . . 0.0 112.619 172.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.7 p -87.59 -32.89 19.09 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.789 0.722 . . . . 0.0 111.26 -174.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -78.22 9.72 3.57 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.251 1.421 . . . . 0.0 112.483 171.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.28 -8.16 23.2 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.84 154.95 6.54 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 123.72 0.808 . . . . 0.0 111.839 174.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -53.96 -29.03 52.28 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.732 2.955 . . . . 0.0 114.871 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -147.61 156.16 42.53 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.394 1.478 . . . . 0.0 107.919 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.74 -7.43 7.93 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.861 2.064 . . . . 0.0 112.935 -177.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -55.56 156.18 4.9 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.931 0.892 . . . . 0.0 109.336 168.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -140.23 158.51 43.93 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.774 1.23 . . . . 0.0 108.116 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.2 m -67.89 8.33 0.41 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.442 1.897 . . . . 0.0 114.822 -173.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -142.07 149.96 54.16 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 125.825 1.65 . . . . 0.0 108.365 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.79 173.73 10.57 Favored 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 122.91 2.407 . . . . 0.0 111.813 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.639 HH12 ' HG ' ' A' ' 53' ' ' SER . 54.1 ttt85 -58.47 -38.77 78.25 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.514 0.725 . . . . 0.0 110.99 170.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -58.26 145.34 74.8 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-O 118.509 -0.758 . . . . 0.0 109.881 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.51 152.49 16.0 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.004 2.47 . . . . 0.0 112.884 173.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -66.98 -27.01 67.09 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 119.143 -0.456 . . . . 0.0 111.574 169.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.64 161.58 5.95 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.852 0.861 . . . . 0.0 111.812 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -147.18 167.57 23.84 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 126.202 1.801 . . . . 0.0 108.967 175.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -57.58 140.69 50.29 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.613 0.365 . . . . 0.0 110.306 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.3 p -140.68 -19.48 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.266 1.027 . . . . 0.0 112.126 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.9 m -58.62 -36.12 73.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.765 0.826 . . . . 0.0 111.749 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -144.23 139.9 28.94 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 105.805 -1.924 . . . . 0.0 105.805 168.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.17 -35.1 77.78 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.652 0.739 . . . . 0.0 110.71 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.45 133.22 20.02 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 126.877 2.071 . . . . 0.0 106.153 169.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.1 m -64.59 160.03 20.53 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.828 0.823 . . . . 0.0 111.77 -173.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.2 p -64.18 158.48 63.89 Favored Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 124.615 1.166 . . . . 0.0 112.306 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.5 149.16 18.53 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.433 2.756 . . . . 0.0 112.166 169.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 52.34 28.38 5.69 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.865 1.266 . . . . 0.0 112.859 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -158.25 30.11 0.47 Allowed Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.827 1.203 . . . . 0.0 111.241 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.5 152.29 15.03 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.947 0.899 . . . . 0.0 111.497 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -141.59 121.58 13.68 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 124.81 1.244 . . . . 0.0 108.32 171.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.6 m -59.83 139.61 57.2 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 124.056 0.942 . . . . 0.0 110.143 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 67.0 tp -153.86 139.8 18.22 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.442 1.497 . . . . 0.0 107.429 174.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -150.51 146.32 26.53 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 173.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -157.63 151.62 24.37 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.352 1.461 . . . . 0.0 108.131 175.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -135.78 8.57 3.3 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.342 1.457 . . . . 0.0 113.127 172.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 48.8 tp -53.62 -21.58 7.04 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.36 0.982 . . . . 0.0 111.884 167.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -38.71 -36.5 0.26 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.439 2.296 . . . . 0.0 113.848 168.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.33 -15.86 63.72 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.224 -0.922 . . . . 0.0 112.877 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -139.26 -1.05 1.76 Allowed 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.589 1.156 . . . . 0.0 113.086 -174.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.8 tp -54.39 -31.89 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.75 1.22 . . . . 0.0 112.148 -174.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -140.38 49.44 1.72 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 169.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 3.1 mpp? 50.22 -139.58 0.87 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.754 1.222 . . . . 0.0 108.645 -173.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.7 m -83.27 -1.98 54.5 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.88 0.872 . . . . 0.0 112.962 170.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -77.04 -19.99 56.47 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.128 0.876 . . . . 0.0 113.175 -173.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -49.63 147.01 3.79 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.528 -0.733 . . . . 0.0 111.833 171.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.17 -42.43 85.98 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.653 0.781 . . . . 0.0 110.845 -170.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -146.85 -53.58 0.23 Allowed 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.126 0.891 . . . . 0.0 109.197 170.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 49.4 mt -140.59 -9.73 1.07 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.689 1.196 . . . . 0.0 111.97 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.4 pt -144.27 174.4 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 127.187 2.195 . . . . 0.0 108.056 174.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -153.26 157.88 40.83 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.341 1.056 . . . . 0.0 108.401 169.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.241 0.622 0 CA-C-O 117.439 -1.267 . . . . 0.0 108.378 167.616 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.39 169.97 16.66 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.308 1.443 . . . . 0.0 109.174 176.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -131.86 175.21 9.4 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.473 1.509 . . . . 0.0 110.507 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -134.46 26.25 3.77 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.196 1.399 . . . . 0.0 111.908 -172.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -135.02 164.53 27.41 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 125.78 1.632 . . . . 0.0 108.622 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -149.37 151.9 34.87 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.692 1.197 . . . . 0.0 108.83 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.4 m -55.78 140.55 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 122.087 0.946 . . . . 0.0 111.448 -175.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.16 -14.92 57.91 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.987 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -64.49 160.45 19.3 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.721 1.26 . . . . 0.0 110.351 173.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.8 t -136.7 125.18 35.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -142.93 173.47 11.52 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 124.491 1.117 . . . . 0.0 109.475 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.5 m -115.91 144.81 43.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.84 -174.93 24.56 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 124.617 1.103 . . . . 0.0 110.574 -172.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.46 123.99 32.93 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 -170.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.43 125.84 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -176.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -111.74 -10.27 14.06 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 125.174 1.39 . . . . 0.0 112.635 -173.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.01 166.8 37.72 Favored Glycine 0 C--N 1.334 0.458 0 CA-C-N 119.677 1.126 . . . . 0.0 111.427 169.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.0 mt -125.67 146.99 49.49 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.791 1.236 . . . . 0.0 108.298 171.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -143.95 161.22 39.29 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 126.59 1.956 . . . . 0.0 107.562 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.42 -1.28 1.1 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -132.66 2.2 3.74 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.152 1.381 . . . . 0.0 113.528 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.55 175.99 39.08 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-N 120.183 1.356 . . . . 0.0 114.441 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.72 120.18 34.92 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 126.658 1.983 . . . . 0.0 108.201 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -74.29 140.07 44.67 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 174.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.2 t -135.54 113.71 15.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.92 144.17 49.05 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 172.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.3 mt -123.26 -28.08 4.04 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.68 1.192 . . . . 0.0 110.773 -169.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -151.98 170.11 20.69 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 126.245 1.818 . . . . 0.0 107.204 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.23 -11.38 6.18 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -141.81 20.32 2.15 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.93 1.692 . . . . 0.0 111.482 -176.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.1 m -147.98 141.03 24.92 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 120.672 -1.267 . . . . 0.0 109.917 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -149.66 156.64 42.24 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 126.112 1.765 . . . . 0.0 107.626 -176.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.76 -179.79 19.14 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 172.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.5 tp -128.62 107.35 9.62 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.407 1.083 . . . . 0.0 109.204 -169.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.3 t -66.44 117.11 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 104.634 -2.358 . . . . 0.0 104.634 167.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -75.68 147.72 39.2 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.6 tt -53.96 -36.62 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.358 0.663 . . . . 0.0 112.714 -172.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -65.97 -6.82 13.82 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.298 1.439 . . . . 0.0 113.473 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -119.11 4.45 11.34 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.736 1.614 . . . . 0.0 111.078 -172.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.5 t -76.55 -31.0 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 119.01 0.823 . . . . 0.0 110.89 -176.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 t -162.03 165.38 27.4 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.344 1.058 . . . . 0.0 108.66 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -77.0 -22.15 53.58 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.019 0.528 . . . . 0.0 111.72 169.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.72 167.66 53.63 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 175.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -69.8 137.14 51.6 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 168.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.5 t -79.64 116.51 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -64.47 -55.18 22.49 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 173.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -157.86 142.9 16.7 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 129.314 3.046 . . . . 0.0 103.444 171.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.8 tt -55.22 -33.88 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 120.356 1.435 . . . . 0.0 113.602 -170.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -16.54 63.49 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 119.503 1.047 . . . . 0.0 113.119 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -75.91 -1.3 24.8 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.233 0.924 . . . . 0.0 111.806 173.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -139.26 -7.0 1.36 Allowed 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.387 0.994 . . . . 0.0 112.931 -175.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.439 ' HG ' ' H ' ' A' ' 53' ' ' SER . 3.8 tp -152.88 179.22 8.86 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.052 1.341 . . . . 0.0 109.09 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.439 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 55.8 m -149.36 139.55 22.2 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.097 1.359 . . . . 0.0 109.497 -173.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.9 t -72.62 152.34 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 168.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.19 28.86 69.4 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 119.136 -0.813 . . . . 0.0 111.462 174.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -123.39 160.34 27.02 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -99.08 134.59 41.7 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 124.439 1.096 . . . . 0.0 108.045 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.4 m -142.31 148.28 20.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 124.592 1.157 . . . . 0.0 108.425 -173.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -99.63 133.54 43.82 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 173.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.7 m -126.94 147.51 31.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 125.768 1.627 . . . . 0.0 109.494 -169.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -103.94 127.39 51.48 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 168.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.3 t -64.55 126.09 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.9 tp -112.21 -31.56 6.82 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 124.739 1.216 . . . . 0.0 111.328 -172.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.48 157.52 39.96 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.522 1.129 . . . . 0.0 108.712 171.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.1 t -138.39 136.33 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 170.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -142.77 76.22 1.52 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 170.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -66.93 -18.57 65.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.924 -174.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.62 -44.29 57.39 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.212 0.605 . . . . 0.0 109.707 173.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -67.38 -28.92 68.33 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.648 -0.658 . . . . 0.0 110.349 169.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.21 37.29 7.2 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 124.441 1.019 . . . . 0.0 111.585 -178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -133.42 156.47 47.63 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.435 1.117 . . . . 0.0 110.598 -174.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.1 mt -140.55 138.77 35.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 104.474 -2.417 . . . . 0.0 104.474 174.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.5 m -109.64 146.27 35.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 171.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -133.07 171.56 13.81 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 124.534 1.133 . . . . 0.0 109.0 -169.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 p -145.66 152.38 39.54 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.812 0.845 . . . . 0.0 110.156 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.0 mm -124.83 -32.13 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 126.353 1.861 . . . . 0.0 109.591 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -58.68 -23.78 60.03 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.879 1.218 . . . . 0.0 112.078 169.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.97 -22.88 63.11 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.104 0.962 . . . . 0.0 113.497 173.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.3 p -116.65 -28.63 6.33 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.906 0.882 . . . . 0.0 112.394 -169.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -153.93 -169.32 3.23 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.777 2.031 . . . . 0.0 109.073 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -143.69 158.1 43.92 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.793 1.237 . . . . 0.0 108.592 169.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.57 80.37 8.35 Favored Pre-proline 0 CA--C 1.53 0.194 0 C-N-CA 124.118 0.967 . . . . 0.0 108.427 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.91 -40.39 75.7 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.611 2.208 . . . . 0.0 111.979 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -161.87 129.03 3.9 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 169.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -67.17 128.65 37.17 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 171.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -146.91 161.57 40.46 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.918 0.887 . . . . 0.0 109.886 -174.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -157.0 168.97 25.92 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 125.168 1.387 . . . . 0.0 107.517 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.0 m -66.45 7.49 0.32 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.363 1.865 . . . . 0.0 114.894 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -149.57 157.16 39.01 Favored Pre-proline 0 N--CA 1.467 0.378 0 C-N-CA 125.374 1.47 . . . . 0.0 109.84 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -62.12 154.87 59.59 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.434 2.089 . . . . 0.0 110.941 175.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -63.82 126.17 26.74 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.233 0.613 . . . . 0.0 109.829 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -71.97 163.05 70.02 Favored Pre-proline 0 CA--C 1.543 0.709 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 168.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -50.84 155.92 5.2 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 123.073 2.516 . . . . 0.0 112.589 169.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -61.43 -52.39 64.75 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 171.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -158.86 151.34 21.66 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 127.171 2.188 . . . . 0.0 107.492 169.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.37 136.13 56.57 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.93 0.492 . . . . 0.0 110.288 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 60.28 -26.97 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 128.118 2.567 . . . . 0.0 115.755 -176.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 60.2 t -69.54 -39.07 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 120.146 1.339 . . . . 0.0 109.887 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.2 m -61.28 145.14 52.38 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.798 0.439 . . . . 0.0 110.392 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -68.97 -16.09 63.65 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.42 0.688 . . . . 0.0 112.249 170.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -137.25 55.88 1.8 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.799 1.64 . . . . 0.0 107.571 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.6 -6.45 15.31 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m -53.7 156.09 2.86 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.871 1.668 . . . . 0.0 112.173 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.3 p -59.11 156.13 29.44 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 123.889 0.876 . . . . 0.0 111.233 169.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -64.85 155.8 65.6 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 122.544 2.163 . . . . 0.0 110.463 173.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -56.93 135.55 56.02 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 123.279 0.632 . . . . 0.0 109.895 -178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 54.91 20.8 21.09 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.466 1.031 . . . . 0.0 113.984 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.0 t80 48.05 33.53 3.57 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.23 1.412 . . . . 0.0 112.203 -169.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -65.98 143.62 57.27 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 121.684 -0.635 . . . . 0.0 109.997 174.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 p -136.5 14.35 3.2 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.819 1.247 . . . . 0.0 112.133 -173.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.8 pp -147.24 161.86 40.08 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.057 0.943 . . . . 0.0 111.147 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -66.21 114.41 5.28 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 169.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -55.87 130.39 43.4 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.95 0.781 . . . . 0.0 111.259 -174.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -69.33 158.76 34.43 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 123.499 0.72 . . . . 0.0 110.603 -175.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.0 tt 46.73 51.12 12.66 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.704 1.202 . . . . 0.0 110.238 -176.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.55 -34.57 75.79 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.593 169.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -139.78 163.71 31.89 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 126.82 2.048 . . . . 0.0 106.975 170.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 14.4 m-90 -62.29 161.16 11.85 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.775 0.797 . . . . 0.0 111.424 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 36.2 pt -135.1 157.1 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 125.608 1.563 . . . . 0.0 109.517 -173.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.08 149.72 49.84 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.094 0.558 . . . . 0.0 109.62 176.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 98.1 mtp -58.65 -34.67 71.47 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.229 0.611 . . . . 0.0 111.202 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.8 m -71.57 -4.97 29.95 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.384 1.074 . . . . 0.0 113.545 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -82.9 12.87 4.37 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.978 -1.076 . . . . 0.0 113.186 -174.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.15 160.91 37.21 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 120.584 -1.323 . . . . 0.0 108.762 173.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -54.72 -27.26 39.41 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.034 0.933 . . . . 0.0 112.006 174.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -54.27 -24.31 18.34 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.416 1.486 . . . . 0.0 114.443 177.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 66.8 tp -142.55 112.96 7.22 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.265 0.939 . . . . 0.0 109.409 173.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 46.9 pt -140.22 165.32 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.847 1.659 . . . . 0.0 109.057 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -55.76 116.5 2.97 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.405 0.682 . . . . 0.0 109.205 172.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 C--O 1.24 0.593 0 CA-C-O 118.066 -0.969 . . . . 0.0 108.464 172.284 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.471 0.575 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.6 156.12 24.16 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 124.115 0.884 . . . . 0.0 111.449 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.54 166.5 6.65 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.208 0.603 . . . . 0.0 111.883 169.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -61.03 -30.51 70.36 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 172.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -69.01 143.86 54.24 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.124 0.97 . . . . 0.0 109.089 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -142.48 150.15 40.15 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 125.707 1.603 . . . . 0.0 107.255 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.0 t -53.09 129.87 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 124.455 1.102 . . . . 0.0 110.109 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.96 -13.24 67.46 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 117.873 -1.515 . . . . 0.0 113.262 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -65.14 164.68 12.64 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 119.004 1.402 . . . . 0.0 110.648 172.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.7 t -138.28 128.75 35.46 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.072 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -145.51 175.87 10.02 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.318 1.447 . . . . 0.0 109.023 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.1 m -125.42 145.34 50.11 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.87 -179.62 31.96 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -173.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -110.31 135.68 50.67 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 118.861 -0.59 . . . . 0.0 109.607 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.2 t -68.8 128.26 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -118.38 -7.32 10.7 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.056 1.342 . . . . 0.0 112.35 -171.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.68 164.57 34.87 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 119.909 1.231 . . . . 0.0 110.756 168.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt -123.55 149.37 45.34 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 124.844 1.258 . . . . 0.0 108.518 168.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -143.91 161.17 39.39 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 126.997 2.119 . . . . 0.0 107.467 177.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.05 -3.37 1.21 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -132.74 2.87 3.77 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.214 1.406 . . . . 0.0 113.687 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.02 176.07 39.97 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-N 120.042 1.292 . . . . 0.0 114.418 174.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.82 119.87 33.95 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 126.555 1.942 . . . . 0.0 108.486 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -72.34 140.14 48.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 173.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.3 t -133.72 112.93 17.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 173.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.69 147.3 45.82 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.879 0.847 . . . . 0.0 110.172 171.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.4 mt -128.7 -27.77 2.55 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.42 1.488 . . . . 0.0 110.595 -169.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -152.94 161.23 42.8 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 126.72 2.008 . . . . 0.0 106.459 175.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -53.67 -17.04 1.9 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 172.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -133.88 26.72 3.96 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.199 1.399 . . . . 0.0 111.509 175.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.5 m -146.34 140.5 26.46 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.662 -1.274 . . . . 0.0 111.294 168.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -150.98 156.42 41.13 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 126.477 1.911 . . . . 0.0 107.51 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.24 178.36 20.34 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 172.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.6 tp -126.54 106.57 9.53 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.834 0.854 . . . . 0.0 108.838 -168.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.78 115.87 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 165.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -73.59 145.16 45.65 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 174.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.3 tt -52.22 -42.6 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -170.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.0 m -68.75 -9.42 50.64 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.971 0.908 . . . . 0.0 112.869 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -112.47 12.63 20.04 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 126.149 1.78 . . . . 0.0 111.374 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.9 t -74.72 -34.52 34.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 O-C-N 120.473 -1.392 . . . . 0.0 111.279 172.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 t -165.24 -161.18 0.52 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -49.79 -33.05 15.36 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 127.314 2.245 . . . . 0.0 113.54 -169.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.32 -12.54 1.39 Allowed Glycine 0 CA--C 1.529 0.931 0 CA-C-N 119.396 0.998 . . . . 0.0 113.01 171.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -77.5 27.63 0.16 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.499 1.52 . . . . 0.0 112.979 -174.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 t -79.31 55.84 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 128.043 2.537 . . . . 0.0 110.696 -170.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -52.4 -33.39 43.36 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 125.595 1.558 . . . . 0.0 112.835 173.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -146.58 140.13 25.87 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 167.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.2 tt -74.79 -34.22 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -172.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -19.55 65.88 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 119.045 0.839 . . . . 0.0 112.972 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -77.52 -5.86 51.56 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 117.767 0.258 . . . . 0.0 111.484 174.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -134.81 -19.6 1.8 Allowed 'General case' 0 CA--C 1.535 0.38 0 O-C-N 120.402 -1.436 . . . . 0.0 113.214 -168.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.412 ' HG ' ' H ' ' A' ' 53' ' ' SER . 3.5 tp -145.64 176.33 9.71 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.738 1.215 . . . . 0.0 110.009 170.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.412 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 66.1 m -148.02 134.58 19.78 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 124.763 1.225 . . . . 0.0 109.643 -168.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.4 t -67.48 151.2 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 166.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.92 39.34 93.31 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -125.47 154.39 42.12 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 168.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -92.89 133.39 36.14 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 169.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.2 m -140.02 142.76 31.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -175.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -90.56 133.55 35.0 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 171.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.09 141.2 47.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 126.56 1.944 . . . . 0.0 108.947 -169.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -93.4 132.11 37.95 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 165.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.5 t -64.78 115.04 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 171.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.3 tp -95.9 -32.69 12.52 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 124.456 1.102 . . . . 0.0 111.276 -175.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.92 161.39 38.23 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.74 1.216 . . . . 0.0 109.133 172.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.9 t -135.43 143.45 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 168.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -140.0 73.25 1.42 Allowed 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.971 1.308 . . . . 0.0 108.34 -173.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -57.93 -19.93 33.7 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.226 1.41 . . . . 0.0 113.903 -176.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -65.35 -24.99 67.39 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.419 0.688 . . . . 0.0 110.995 175.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -121.95 -5.24 9.05 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.764 1.225 . . . . 0.0 111.547 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.65 39.46 96.74 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.769 -0.533 . . . . 0.0 111.769 -174.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -113.24 158.8 20.03 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 117.946 0.873 . . . . 0.0 110.113 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.2 mt -141.11 138.26 33.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 105.527 -2.027 . . . . 0.0 105.527 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -109.7 149.57 29.56 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 169.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.0 mt -133.53 169.34 17.12 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 124.254 1.022 . . . . 0.0 109.478 -169.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.6 t -139.06 148.72 43.72 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.524 1.129 . . . . 0.0 108.777 175.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.2 mm -122.71 -26.03 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 127.189 2.195 . . . . 0.0 109.155 173.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.94 -29.22 62.96 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 119.291 -2.131 . . . . 0.0 111.108 168.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.17 -28.78 69.99 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 117.959 -1.02 . . . . 0.0 113.523 172.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.1 p -110.3 -20.07 12.76 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.25 1.02 . . . . 0.0 112.289 -169.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -124.0 61.1 1.1 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.357 1.863 . . . . 0.0 109.058 166.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.6 57.78 0.29 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.526 1.93 . . . . 0.0 112.565 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 41.85 59.27 9.63 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 126.427 1.891 . . . . 0.0 113.344 -172.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -68.78 -16.37 41.66 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.574 2.183 . . . . 0.0 112.343 170.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -135.71 -173.42 3.36 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.837 2.455 . . . . 0.0 106.882 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -53.19 159.66 1.24 Allowed 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.045 -1.66 . . . . 0.0 110.504 166.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -52.02 154.75 2.09 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 122.771 0.428 . . . . 0.0 111.167 175.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -77.9 81.95 4.29 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 123.498 0.719 . . . . 0.0 109.316 -172.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.3 m -55.41 -30.34 60.23 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.359 1.064 . . . . 0.0 112.892 177.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -141.87 165.31 28.78 Favored Pre-proline 0 CA--C 1.536 0.438 0 C-N-CA 126.258 1.823 . . . . 0.0 108.766 165.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.18 163.65 9.69 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.895 2.397 . . . . 0.0 113.27 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -64.2 -23.0 67.15 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 172.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -133.89 84.27 44.24 Favored Pre-proline 0 N--CA 1.46 0.052 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.8 -37.6 97.66 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.236 2.624 . . . . 0.0 112.822 -178.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -145.66 -63.28 0.33 Allowed 'General case' 0 C--N 1.343 0.302 0 C-N-CA 124.507 1.123 . . . . 0.0 108.786 172.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.84 168.55 24.75 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 125.463 1.505 . . . . 0.0 108.265 173.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.66 -8.21 52.68 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.886 0.875 . . . . 0.0 113.204 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -133.02 157.52 45.01 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.064 1.746 . . . . 0.0 107.223 171.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . 0.263 35.4 m 44.03 37.26 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.257 1.423 . . . . 0.0 112.06 -171.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -58.39 146.11 35.98 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.32 1.448 . . . . 0.0 109.927 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -155.09 156.36 35.69 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -175.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -71.97 -21.27 61.61 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.433 1.093 . . . . 0.0 112.535 -171.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.85 163.52 38.44 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.954 0.883 . . . . 0.0 111.181 -173.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.4 m -133.82 173.58 11.39 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.672 1.589 . . . . 0.0 109.424 -174.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.4 p -54.06 152.79 10.1 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 125.387 1.475 . . . . 0.0 111.33 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.52 -12.28 22.54 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.717 2.945 . . . . 0.0 112.709 -171.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.416 ' HA ' ' HG1' ' A' ' 110' ' ' THR . 87.9 mt-30 -131.6 173.04 11.53 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 126.929 2.092 . . . . 0.0 107.867 167.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -147.43 -179.41 23.45 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 107.829 -2.108 . . . . 0.0 107.829 166.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -77.49 49.75 0.75 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.994 0.917 . . . . 0.0 111.093 176.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -158.15 -39.43 0.07 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.338 2.255 . . . . 0.0 111.227 -174.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.416 ' HG1' ' HA ' ' A' ' 106' ' ' GLN . 17.7 p -69.86 166.66 18.97 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.553 0.741 . . . . 0.0 112.215 -178.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.2 tp -142.05 118.17 10.69 Favored 'General case' 0 C--N 1.338 0.1 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 169.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -141.66 149.69 40.95 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 125.304 1.442 . . . . 0.0 107.45 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -69.31 -25.9 64.45 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.455 0.702 . . . . 0.0 111.58 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -137.96 175.02 9.95 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 125.133 1.373 . . . . 0.0 108.874 -175.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 59.4 tp -55.61 -35.63 66.06 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.495 0.718 . . . . 0.0 112.024 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -141.82 152.23 43.49 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 169.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -135.14 -10.82 2.24 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.709 1.603 . . . . 0.0 111.174 -171.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -140.75 142.3 34.77 Favored 'General case' 0 C--N 1.34 0.161 0 O-C-N 120.728 -1.232 . . . . 0.0 109.786 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.4 tt -155.14 140.53 10.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 125.353 1.461 . . . . 0.0 107.306 168.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -157.19 -46.54 0.07 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.094 0.958 . . . . 0.0 108.698 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -157.28 156.81 33.08 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 125.303 1.441 . . . . 0.0 108.131 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m 50.36 35.98 12.03 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.833 1.253 . . . . 0.0 112.43 170.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -65.93 153.56 41.72 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.545 0.688 . . . . 0.0 111.971 -174.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -61.4 168.83 2.53 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.798 1.639 . . . . 0.0 111.549 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -56.84 158.65 4.59 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.231 -0.918 . . . . 0.0 110.352 176.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -81.43 -27.5 34.67 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.67 0.747 . . . . 0.0 111.705 169.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -60.95 127.33 31.06 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.06 1.344 . . . . 0.0 109.893 -175.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 37.1 pt -58.59 157.64 1.76 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.055 1.342 . . . . 0.0 112.861 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -66.04 -21.77 66.4 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 95.0 mttt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 116.317 -1.801 . . . . 0.0 110.665 -178.131 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.497 0 CA-C-O 118.598 -0.715 . . . . 0.0 109.787 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.58 154.26 17.97 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.453 0.57 . . . . 0.0 111.131 174.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.46 -149.66 0.29 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 125.582 1.553 . . . . 0.0 108.204 176.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.414 ' HZ2' ' HG1' ' A' ' 31' ' ' THR . 61.7 mtpt -56.87 -18.56 13.6 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.755 0.822 . . . . 0.0 112.472 169.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -130.72 163.69 26.7 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 126.263 1.825 . . . . 0.0 107.957 176.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -143.61 145.83 32.8 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.016 1.327 . . . . 0.0 107.759 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 m -54.1 138.41 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 122.259 1.028 . . . . 0.0 111.141 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.02 -18.11 49.67 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 117.925 -1.486 . . . . 0.0 112.83 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 m -63.33 165.5 7.51 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.001 1.401 . . . . 0.0 110.751 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.6 t -138.98 127.95 29.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 -178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -140.47 177.82 7.75 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.53 1.132 . . . . 0.0 109.385 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -118.05 145.42 44.82 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.92 -176.28 27.88 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -175.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -127.31 136.12 51.49 Favored 'General case' 0 CA--C 1.512 -0.499 0 C-N-CA 123.675 0.79 . . . . 0.0 109.393 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 t -72.16 125.92 31.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 -175.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -115.81 -8.75 11.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 125.044 1.338 . . . . 0.0 112.557 -171.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -172.34 168.12 41.14 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 119.344 0.974 . . . . 0.0 110.888 170.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.3 mt -132.61 146.91 52.27 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.086 1.354 . . . . 0.0 107.399 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -143.23 160.48 40.39 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 127.044 2.138 . . . . 0.0 106.426 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.89 -4.47 2.17 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 174.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -126.58 4.34 6.82 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.828 1.251 . . . . 0.0 113.017 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.4 179.96 38.84 Favored Glycine 0 CA--C 1.526 0.771 0 CA-C-N 120.148 1.34 . . . . 0.0 114.773 176.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.63 119.99 31.47 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 126.707 2.003 . . . . 0.0 108.045 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -73.65 140.29 46.03 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 174.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.3 t -135.84 112.63 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.04 143.06 50.85 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 171.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -121.91 -28.31 4.48 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.859 1.263 . . . . 0.0 110.684 -169.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -152.24 167.99 26.82 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 126.584 1.954 . . . . 0.0 106.937 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -58.52 -14.88 9.04 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 124.982 1.313 . . . . 0.0 112.957 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -133.22 9.89 4.1 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.595 1.158 . . . . 0.0 111.88 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.414 ' HG1' ' HZ2' ' A' ' 4' ' ' LYS . 7.4 m -144.6 142.12 29.92 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.268 -1.52 . . . . 0.0 110.483 -174.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -150.26 156.13 41.0 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 126.156 1.782 . . . . 0.0 108.014 -173.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.52 -177.95 15.79 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 170.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.0 tp -131.39 106.36 8.21 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.527 1.131 . . . . 0.0 108.907 -170.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.7 116.37 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 104.688 -2.338 . . . . 0.0 104.688 167.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -74.3 149.29 40.74 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 176.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.3 tt -56.11 -37.5 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.175 -0.953 . . . . 0.0 112.26 -176.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -68.2 -3.58 11.14 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.483 1.513 . . . . 0.0 113.504 176.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -121.9 -0.22 9.6 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.612 1.965 . . . . 0.0 110.428 -174.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.2 t -70.42 -35.55 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 120.831 -1.168 . . . . 0.0 110.435 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 t -155.37 176.81 12.1 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.774 0.797 . . . . 0.0 110.178 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -61.05 3.71 0.09 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 128.903 2.881 . . . . 0.0 115.412 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -175.69 -168.85 36.62 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -172.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -67.09 142.06 57.24 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 117.87 0.835 . . . . 0.0 110.131 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.6 m -81.24 -8.36 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.533 1.533 . . . . 0.0 113.795 -175.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt 73.16 -52.14 0.71 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 127.43 2.292 . . . . 0.0 109.641 -167.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -160.31 138.75 10.2 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 127.406 2.282 . . . . 0.0 105.447 167.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.0 tt -57.08 -34.08 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -171.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -14.47 62.93 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.526 1.057 . . . . 0.0 113.113 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -83.99 -8.4 59.16 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 118.832 0.742 . . . . 0.0 111.475 177.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -134.81 -5.22 2.47 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -175.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.453 ' HG ' ' H ' ' A' ' 53' ' ' SER . 4.5 tp -145.97 176.65 9.54 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.264 1.026 . . . . 0.0 109.314 170.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.453 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 20.3 m -138.96 136.13 35.09 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.123 1.369 . . . . 0.0 108.147 -176.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.5 p -77.89 150.71 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 168.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.21 33.4 85.04 Favored Glycine 0 CA--C 1.531 1.045 0 CA-C-O 119.052 -0.86 . . . . 0.0 111.785 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -126.71 163.42 23.56 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.167 0.987 . . . . 0.0 108.605 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -103.34 135.87 44.16 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 125.097 1.359 . . . . 0.0 108.769 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.6 m -145.04 147.08 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.854 1.262 . . . . 0.0 109.289 -170.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -91.92 135.75 33.69 Favored 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 168.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 m -129.7 144.81 36.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 125.905 1.682 . . . . 0.0 109.885 -173.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -96.77 133.35 41.46 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 168.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.24 117.6 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 171.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.7 tp -95.33 -38.49 10.5 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.18 0.992 . . . . 0.0 110.976 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.79 159.49 40.65 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.345 1.458 . . . . 0.0 108.752 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 p -147.11 140.97 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 170.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -146.55 109.82 4.76 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.28 -21.61 53.35 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.438 0.695 . . . . 0.0 112.355 -174.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -73.37 -44.21 59.12 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 119.091 0.859 . . . . 0.0 109.115 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -68.7 -27.09 65.65 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.32 1.048 . . . . 0.0 110.64 169.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.02 50.58 59.69 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 -171.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -138.26 158.78 43.61 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.654 1.181 . . . . 0.0 110.125 -175.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 64.9 mt -138.65 133.56 42.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 104.6 -2.371 . . . . 0.0 104.6 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 m -102.6 147.88 26.25 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 170.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.5 mt -134.52 167.28 21.06 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.905 0.882 . . . . 0.0 109.447 -170.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.5 m -136.55 148.22 47.46 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 124.052 0.941 . . . . 0.0 109.844 172.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.7 mm -114.96 -24.51 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 126.867 2.067 . . . . 0.0 109.512 169.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -56.66 -27.02 57.81 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 119.955 -1.716 . . . . 0.0 112.565 171.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.3 -31.09 67.02 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 174.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.6 p -101.85 -16.46 16.56 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.157 0.983 . . . . 0.0 111.981 -173.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -116.12 42.25 2.41 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.38 2.272 . . . . 0.0 108.415 169.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.28 -46.92 86.64 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 123.176 0.59 . . . . 0.0 110.183 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.45 140.47 90.01 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-O 117.477 -1.249 . . . . 0.0 107.873 167.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -48.06 108.01 0.16 Allowed 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 123.878 3.052 . . . . 0.0 113.133 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -150.77 155.82 40.03 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 126.053 1.741 . . . . 0.0 106.834 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -141.74 177.22 8.32 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.582 1.553 . . . . 0.0 108.56 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -55.26 169.2 0.28 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.758 0.789 . . . . 0.0 110.598 168.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -130.31 166.94 19.33 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 168.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.5 m -140.14 -38.92 0.45 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.427 0.691 . . . . 0.0 111.729 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -67.24 -29.53 2.58 Favored Pre-proline 0 N--CA 1.472 0.658 0 CA-C-O 115.451 -2.214 . . . . 0.0 116.84 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.88 158.94 15.57 Favored 'Trans proline' 0 C--N 1.349 0.559 0 CA-C-N 123.332 2.226 . . . . 0.0 112.937 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -60.48 119.08 7.34 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 169.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -68.48 -55.49 11.87 Favored Pre-proline 0 N--CA 1.465 0.305 0 CA-C-O 117.394 -1.288 . . . . 0.0 111.629 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.75 156.14 67.16 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 CA-C-N 121.652 1.626 . . . . 0.0 110.633 173.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -131.5 1.47 4.1 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.176 0.99 . . . . 0.0 112.497 178.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.0 161.03 22.37 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.976 0.51 . . . . 0.0 110.787 173.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.88 -23.7 64.24 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 122.845 0.458 . . . . 0.0 112.027 170.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -57.28 142.8 41.96 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.139 0.975 . . . . 0.0 109.016 169.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.5 m -137.22 147.32 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.483 1.113 . . . . 0.0 109.774 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.4 m -131.08 -175.03 3.55 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.667 1.587 . . . . 0.0 109.373 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -40.7 70.91 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.955 -0.466 . . . . 0.0 112.188 176.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 51.02 33.7 9.48 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.356 1.862 . . . . 0.0 112.333 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -142.16 13.95 2.03 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.528 1.531 . . . . 0.0 111.672 -177.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.9 m -59.81 158.61 10.2 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.763 1.225 . . . . 0.0 111.627 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.9 p -60.95 160.51 20.31 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 124.153 0.981 . . . . 0.0 111.306 169.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.09 146.55 29.88 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.209 2.606 . . . . 0.0 111.725 170.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -145.13 156.57 43.97 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.384 1.474 . . . . 0.0 107.877 176.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.54 -167.31 38.74 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -66.61 -5.36 11.3 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.223 1.009 . . . . 0.0 113.713 175.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -139.25 154.05 47.92 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 126.278 1.831 . . . . 0.0 108.408 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.4 m -50.57 122.57 7.34 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.376 1.47 . . . . 0.0 110.446 -178.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 85.6 mt 45.38 37.43 2.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.549 1.539 . . . . 0.0 112.923 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.6 tttp 55.16 -74.94 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 127.686 2.395 . . . . 0.0 112.579 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -144.92 2.04 1.02 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.938 1.295 . . . . 0.0 112.054 -173.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -57.86 140.84 50.99 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 120.212 -1.555 . . . . 0.0 109.311 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 44.3 tp -145.86 162.88 36.71 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 126.386 1.874 . . . . 0.0 107.444 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -144.12 167.9 21.3 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 125.684 1.594 . . . . 0.0 108.917 175.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -139.48 171.2 14.6 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.82 1.248 . . . . 0.0 109.381 -174.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -128.13 24.96 5.92 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.657 1.183 . . . . 0.0 110.889 -171.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 48.8 pt -59.48 -11.1 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.281 1.432 . . . . 0.0 113.802 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -54.97 -30.75 59.83 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.214 0.916 . . . . 0.0 112.14 168.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 20.7 mmt -84.74 15.72 3.71 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.6 1.16 . . . . 0.0 112.509 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.9 m -138.77 25.05 2.59 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.262 2.225 . . . . 0.0 109.171 176.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -144.68 175.1 10.42 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 126.791 2.037 . . . . 0.0 108.176 -171.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -51.92 -26.0 9.37 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -172.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -56.94 -46.88 81.76 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.554 1.07 . . . . 0.0 111.181 173.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -159.2 121.53 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 124.224 1.01 . . . . 0.0 109.278 175.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -156.45 160.88 39.99 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 125.669 1.587 . . . . 0.0 109.722 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.8 pt -65.64 150.36 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-O 121.445 0.641 . . . . 0.0 110.498 174.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -142.12 159.53 42.04 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.509 1.523 . . . . 0.0 108.262 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 64.9 mttp . . . . . 0 CA--C 1.543 0.688 0 CA-C-O 117.361 -1.304 . . . . 0.0 109.304 171.809 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 47.11 28.55 0.96 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.676 1.591 . . . . 0.0 114.091 -174.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.61 176.01 7.64 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 122.6 1.19 . . . . 0.0 110.589 175.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.431 ' HD2' ' HG1' ' A' ' 31' ' ' THR . 95.5 mttt -54.92 -41.14 70.64 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.141 -0.975 . . . . 0.0 110.664 174.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -127.04 148.75 50.12 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.629 1.572 . . . . 0.0 107.407 -173.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -140.46 151.37 44.8 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.22 1.408 . . . . 0.0 107.644 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.6 m -53.27 130.48 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-O 121.808 0.813 . . . . 0.0 111.361 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.26 -18.41 57.43 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-O 117.124 -1.931 . . . . 0.0 113.43 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.2 m -60.01 162.88 5.19 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.595 1.697 . . . . 0.0 111.081 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.6 t -133.22 129.66 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 105.715 -1.958 . . . . 0.0 105.715 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -140.9 175.43 9.62 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.567 0.747 . . . . 0.0 109.349 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 m -115.16 144.79 43.14 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.16 -177.86 27.99 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -125.58 137.24 53.9 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 123.238 0.615 . . . . 0.0 110.125 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.8 t -73.99 125.37 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -170.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -105.32 -14.96 15.18 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 124.992 1.317 . . . . 0.0 112.083 -173.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.37 166.24 36.06 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 119.685 1.13 . . . . 0.0 110.741 169.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -116.47 152.11 34.71 Favored 'General case' 0 C--O 1.227 -0.123 0 C-N-CA 123.876 0.87 . . . . 0.0 108.775 167.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -141.01 161.2 38.4 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.549 2.34 . . . . 0.0 106.505 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.96 -6.9 2.07 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -127.62 0.72 6.16 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.803 1.641 . . . . 0.0 112.704 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.85 -176.75 39.86 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-N 120.429 1.468 . . . . 0.0 114.742 176.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.64 118.22 28.65 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.115 1.766 . . . . 0.0 108.219 -176.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -71.81 141.55 49.67 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.777 -0.577 . . . . 0.0 109.522 172.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 t -138.33 114.14 10.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.23 143.9 52.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.155 0.582 . . . . 0.0 109.786 167.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.0 mt -125.15 -29.15 3.33 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 124.676 1.19 . . . . 0.0 110.579 -168.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -150.73 164.98 34.85 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 126.611 1.964 . . . . 0.0 106.372 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -53.24 -20.8 4.47 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.039 1.336 . . . . 0.0 113.356 176.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -132.73 12.52 4.41 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.873 0.869 . . . . 0.0 111.904 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.431 ' HG1' ' HD2' ' A' ' 4' ' ' LYS . 14.6 m -144.52 144.58 31.4 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.644 -1.285 . . . . 0.0 111.226 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -152.6 156.92 40.23 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.73 2.012 . . . . 0.0 107.518 -168.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.53 -174.8 16.08 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 171.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.1 tp -133.03 113.63 13.02 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 -171.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.5 t -70.51 118.19 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 165.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -71.34 146.77 48.61 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.456 1.025 . . . . 0.0 110.101 172.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.9 tt -57.4 -39.38 68.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 118.202 -0.904 . . . . 0.0 113.076 -173.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 m -67.44 -7.74 27.75 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 120.535 1.516 . . . . 0.0 112.542 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -117.41 6.86 12.66 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 126.411 1.884 . . . . 0.0 110.834 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 t -69.97 -27.77 34.01 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 120.156 1.344 . . . . 0.0 112.775 172.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.756 ' HG1' ' HD1' ' A' ' 51' ' ' HIS . 66.6 m -150.88 152.24 33.38 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.936 0.789 . . . . 0.0 109.182 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -77.59 50.82 0.85 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.142 1.377 . . . . 0.0 111.872 176.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 174.32 -161.54 31.56 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 109.118 -1.593 . . . . 0.0 109.118 -172.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -55.34 154.27 6.3 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 117.002 0.401 . . . . 0.0 110.574 168.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.3 t -123.94 87.8 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 104.151 -2.537 . . . . 0.0 104.151 167.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -55.52 -43.98 76.23 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 124.911 1.285 . . . . 0.0 111.082 -171.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -156.0 137.28 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 103.89 -2.634 . . . . 0.0 103.89 166.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.5 tt -59.91 -37.25 71.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-O 118.305 -0.855 . . . . 0.0 112.74 -171.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -19.27 65.74 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.813 1.188 . . . . 0.0 113.52 176.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -87.19 1.37 53.3 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 118.63 0.65 . . . . 0.0 111.149 174.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.756 ' HD1' ' HG1' ' A' ' 41' ' ' THR . 24.7 m-70 -131.26 -22.5 2.5 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.478 -1.389 . . . . 0.0 112.649 -173.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.434 HD11 ' H ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -148.15 168.38 22.58 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.139 1.775 . . . . 0.0 107.894 -177.625 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.434 ' H ' HD11 ' A' ' 52' ' ' LEU . 50.6 m -149.42 133.87 17.53 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 123.936 0.894 . . . . 0.0 108.742 -167.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.2 t -68.39 150.82 10.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 169.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.03 29.12 72.43 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-O 119.223 -0.765 . . . . 0.0 111.762 174.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -121.12 160.67 23.21 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.052 0.941 . . . . 0.0 108.537 175.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -99.8 135.49 41.15 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.967 1.307 . . . . 0.0 109.551 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.7 m -143.52 146.34 21.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -173.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -93.66 136.53 33.84 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 122.443 0.297 . . . . 0.0 110.433 166.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.81 145.11 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 126.904 2.082 . . . . 0.0 108.432 -169.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -95.28 132.0 40.75 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 165.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.3 t -64.78 117.12 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.915 0.886 . . . . 0.0 108.907 172.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.8 tp -94.65 -38.63 10.74 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.472 1.109 . . . . 0.0 110.87 -178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.52 158.43 41.27 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 124.584 1.154 . . . . 0.0 108.561 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.6 t -136.26 144.14 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 173.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -139.8 69.13 1.36 Allowed 'General case' 0 C--O 1.237 0.423 0 C-N-CA 126.472 1.909 . . . . 0.0 106.865 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -59.71 -20.47 56.58 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.055 1.342 . . . . 0.0 113.198 -176.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -65.58 -21.43 66.59 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.836 0.854 . . . . 0.0 111.527 174.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -122.52 -5.68 8.72 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 124.964 1.306 . . . . 0.0 111.237 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.3 40.2 94.6 Favored Glycine 0 CA--C 1.531 1.035 0 CA-C-N 118.527 0.603 . . . . 0.0 111.62 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -117.51 154.23 31.81 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 118.061 0.93 . . . . 0.0 109.575 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.9 mt -143.68 140.1 25.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 105.609 -1.996 . . . . 0.0 105.609 -177.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 m -107.27 151.1 25.91 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.831 0.853 . . . . 0.0 108.75 166.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.8 mt -137.51 167.96 20.61 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.685 1.194 . . . . 0.0 109.926 -167.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.6 m -137.88 148.85 45.74 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.914 0.886 . . . . 0.0 109.454 174.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.7 mm -116.97 -27.04 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 126.533 1.933 . . . . 0.0 109.415 170.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -56.7 -29.19 62.16 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 119.703 -1.873 . . . . 0.0 111.568 172.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.78 -31.4 66.57 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 117.301 -1.333 . . . . 0.0 112.73 176.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.1 p -97.96 -44.69 6.57 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 117.839 -1.077 . . . . 0.0 111.076 -170.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -62.25 -37.21 84.57 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.832 0.853 . . . . 0.0 110.16 168.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 51.16 -158.03 0.11 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.176 1.79 . . . . 0.0 113.599 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -141.65 164.46 34.51 Favored Pre-proline 0 CA--C 1.541 0.597 0 C-N-CA 127.242 2.217 . . . . 0.0 107.477 175.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.6 -13.7 2.61 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 124.579 3.519 . . . . 0.0 116.997 -174.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -59.99 -20.61 58.61 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.395 1.078 . . . . 0.0 112.947 171.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -144.37 156.7 44.35 Favored 'General case' 0 C--N 1.342 0.244 0 O-C-N 120.995 -1.065 . . . . 0.0 110.639 174.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 156.22 23.49 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.623 163.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -59.71 144.93 46.75 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 122.609 1.195 . . . . 0.0 111.54 175.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.1 m -63.99 166.83 7.0 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.982 -1.074 . . . . 0.0 112.922 177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -146.72 140.33 15.05 Favored Pre-proline 0 C--O 1.237 0.4 0 CA-C-O 115.802 -2.047 . . . . 0.0 106.293 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -43.23 145.47 1.37 Allowed 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 124.932 3.755 . . . . 0.0 115.659 -173.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.42 165.86 18.91 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.976 1.71 . . . . 0.0 110.027 -174.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -138.43 142.84 36.19 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 106.187 -1.782 . . . . 0.0 106.187 167.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.5 30.95 0.37 Allowed 'Trans proline' 0 CA--C 1.545 1.042 0 C-N-CA 123.673 2.916 . . . . 0.0 113.74 -171.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -57.05 -31.27 65.01 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.253 -1.529 . . . . 0.0 112.516 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.71 160.71 40.78 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 125.41 1.484 . . . . 0.0 109.311 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.48 161.19 4.68 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.331 1.053 . . . . 0.0 111.767 172.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -129.64 148.23 51.51 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.803 1.241 . . . . 0.0 108.94 -172.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.7 m -148.4 174.1 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 125.965 1.706 . . . . 0.0 109.3 -172.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.489 ' N ' ' HG1' ' A' ' 104' ' ' THR . 10.1 m 64.54 25.6 13.23 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.665 1.186 . . . . 0.0 112.579 176.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -139.66 139.96 36.78 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.112 1.365 . . . . 0.0 107.574 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.88 -26.78 67.66 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 122.956 0.502 . . . . 0.0 111.857 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.37 -13.29 61.88 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 117.498 -1.239 . . . . 0.0 113.685 175.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.4 m -139.71 -9.99 1.2 Allowed 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.421 1.01 . . . . 0.0 112.591 -167.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.489 ' HG1' ' N ' ' A' ' 99' ' ' SER . 0.0 OUTLIER -157.87 163.48 24.49 Favored Pre-proline 0 CA--C 1.537 0.465 0 C-N-CA 124.82 1.248 . . . . 0.0 108.956 -168.69 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.14 156.87 9.4 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.092 2.528 . . . . 0.0 112.351 170.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -67.86 -14.99 63.41 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.316 1.046 . . . . 0.0 113.581 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -170.52 175.16 44.46 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -149.53 174.47 12.48 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.061 1.344 . . . . 0.0 108.999 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -45.57 -38.35 6.38 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.621 1.568 . . . . 0.0 113.751 -177.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -51.12 -31.45 19.43 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.038 1.335 . . . . 0.0 112.998 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 40.3 tp -61.11 -22.11 64.35 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 176.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -140.59 12.09 2.3 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.986 1.314 . . . . 0.0 112.165 -172.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.71 -27.6 68.45 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.98 0.912 . . . . 0.0 112.042 -174.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -129.03 170.78 13.06 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.39 1.476 . . . . 0.0 108.558 167.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -134.65 -24.92 1.5 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.136 0.974 . . . . 0.0 111.092 -177.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -56.18 -38.79 71.43 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.184 1.394 . . . . 0.0 112.054 -169.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -70.7 -5.55 30.6 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -132.67 12.45 4.44 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.169 1.788 . . . . 0.0 111.671 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 15.1 tt -60.27 152.72 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-O 121.858 0.837 . . . . 0.0 111.287 -176.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -70.05 -21.73 63.14 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.382 1.073 . . . . 0.0 113.214 -173.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 62.9 mtt 54.59 28.04 9.35 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.78 1.632 . . . . 0.0 112.46 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.8 m -64.64 -11.44 35.36 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.937 0.895 . . . . 0.0 113.331 -176.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -51.02 -26.51 6.23 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.136 0.974 . . . . 0.0 113.471 169.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 -62.28 -20.64 64.49 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 174.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -58.41 148.19 28.81 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.307 0.958 . . . . 0.0 109.814 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.09 -34.74 73.88 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.916 0.886 . . . . 0.0 112.424 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 66.3 tp -145.29 131.96 19.94 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 171.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 19.6 tt -154.0 153.35 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 125.989 1.715 . . . . 0.0 107.485 176.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -138.65 161.88 36.04 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.057 1.343 . . . . 0.0 108.293 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt . . . . . 0 C--O 1.245 0.821 0 CA-C-O 115.849 -2.024 . . . . 0.0 109.495 171.031 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.9 ttp . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.36 156.9 17.86 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.347 0.259 . . . . 0.0 110.818 174.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.23 170.06 12.84 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.414 1.485 . . . . 0.0 109.831 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.6 pttt -134.83 19.39 3.51 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.843 1.257 . . . . 0.0 111.886 -173.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -131.83 163.95 27.14 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 126.715 2.006 . . . . 0.0 106.825 172.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -141.11 156.33 45.99 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.154 0.982 . . . . 0.0 108.693 -171.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.8 m -51.18 133.49 12.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 124.562 1.145 . . . . 0.0 110.816 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.81 -16.12 61.55 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 118.545 -1.142 . . . . 0.0 112.944 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -63.51 156.23 26.97 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.026 1.413 . . . . 0.0 109.88 173.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.3 t -121.2 137.97 53.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 172.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -144.35 -175.9 4.82 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 125.883 1.673 . . . . 0.0 108.42 -173.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.6 m -140.39 139.13 35.25 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.402 ' HA3' HD22 ' A' ' 27' ' ' LEU . . . -150.38 -179.18 25.95 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 123.707 0.67 . . . . 0.0 111.705 -175.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.01 122.06 39.31 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 -173.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.7 t -66.17 124.56 21.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -175.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -102.37 -15.24 16.6 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 125.099 1.36 . . . . 0.0 112.999 -174.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.43 169.7 42.29 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-N 119.586 1.085 . . . . 0.0 111.149 173.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.8 mt -127.03 154.52 44.54 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 125.004 1.322 . . . . 0.0 108.243 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -141.71 164.73 29.4 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 127.344 2.258 . . . . 0.0 106.692 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -12.04 17.11 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -132.7 10.43 4.33 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.14 0.976 . . . . 0.0 112.74 -176.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.11 178.07 40.81 Favored Glycine 0 C--N 1.338 0.689 0 O-C-N 120.383 -1.448 . . . . 0.0 113.855 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.18 132.4 47.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.281 1.432 . . . . 0.0 109.42 -177.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -82.6 145.94 29.42 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 174.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.2 t -138.99 129.95 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.13 139.97 29.93 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 169.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.402 HD22 ' HA3' ' A' ' 13' ' ' GLY . 36.4 mt -122.76 -33.99 3.29 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.146 0.579 . . . . 0.0 110.544 -174.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -161.79 169.49 21.29 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 126.442 1.897 . . . . 0.0 107.829 176.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -54.53 -21.78 11.13 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.999 0.919 . . . . 0.0 112.28 169.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -121.83 17.06 11.02 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.375 1.47 . . . . 0.0 111.473 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 m -150.07 127.39 11.39 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 120.121 -1.612 . . . . 0.0 109.146 -175.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -158.24 144.27 17.14 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 105.969 -1.863 . . . . 0.0 105.969 -173.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.36 -174.08 25.7 Favored Glycine 0 CA--C 1.524 0.616 0 CA-C-N 119.172 0.896 . . . . 0.0 113.928 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.1 tp -131.71 117.17 18.26 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 125.925 1.69 . . . . 0.0 108.602 -171.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.9 t -80.1 124.95 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 168.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -77.85 147.75 35.01 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 170.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.3 tt -54.58 -34.53 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.945 -0.472 . . . . 0.0 111.96 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m -63.25 -8.51 8.53 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.66 1.584 . . . . 0.0 113.129 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -121.35 1.83 10.22 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.141 1.776 . . . . 0.0 111.296 -176.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.2 t -73.2 -36.85 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 119.504 1.047 . . . . 0.0 110.73 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.5 m -151.95 174.36 13.72 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 105.456 -2.053 . . . . 0.0 105.456 176.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -41.86 -42.89 2.84 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.433 1.493 . . . . 0.0 113.693 -170.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 176.36 -32.93 0.08 OUTLIER Glycine 0 CA--C 1.527 0.812 0 C-N-CA 123.551 0.596 . . . . 0.0 112.145 169.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -78.68 42.28 0.44 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.387 1.475 . . . . 0.0 112.501 -175.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.2 t -63.3 106.78 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 175.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -62.41 -46.71 87.33 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -157.93 144.69 17.83 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 126.316 1.847 . . . . 0.0 106.141 169.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.3 tt -57.63 -37.08 56.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 118.691 -0.671 . . . . 0.0 112.338 -175.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -12.02 61.3 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.636 1.107 . . . . 0.0 112.753 -178.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -90.42 -4.56 56.93 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.928 0.786 . . . . 0.0 111.42 173.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -133.9 -10.84 2.66 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.298 1.039 . . . . 0.0 113.147 -169.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 tp -149.77 -179.25 6.97 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.627 1.971 . . . . 0.0 106.499 170.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.925 ' HG ' ' H ' ' A' ' 86' ' ' LYS . 75.6 m -158.57 139.76 13.18 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.245 -0.909 . . . . 0.0 109.234 179.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.35 148.8 11.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 168.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.89 32.73 70.08 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.026 -0.874 . . . . 0.0 111.341 177.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -127.37 162.8 25.44 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 175.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -107.46 131.81 53.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.5 m -142.4 145.41 23.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 C-N-CA 124.216 1.006 . . . . 0.0 109.795 -169.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -79.54 142.04 36.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 169.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.07 148.0 27.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 124.643 1.177 . . . . 0.0 110.337 177.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -103.83 130.59 51.41 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 168.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.7 t -68.57 125.9 27.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.9 tp -111.74 -30.74 7.21 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.623 1.169 . . . . 0.0 111.473 -172.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.43 159.35 38.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.94 1.296 . . . . 0.0 108.234 173.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.9 t -134.32 138.75 49.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 173.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -142.81 84.34 1.84 Allowed 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 125.32 1.448 . . . . 0.0 107.41 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -67.14 -24.7 65.93 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.598 0.759 . . . . 0.0 111.693 -175.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -70.2 -42.45 72.32 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.581 0.628 . . . . 0.0 109.382 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -71.22 -24.37 62.19 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 122.875 0.47 . . . . 0.0 110.643 169.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 72.52 39.74 55.73 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -172.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -138.56 165.49 26.75 Favored 'General case' 0 N--CA 1.46 0.062 0 C-N-CA 124.66 1.184 . . . . 0.0 110.137 -171.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 54.0 mt -143.71 136.25 23.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 -175.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.2 m -94.45 143.6 26.27 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 169.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.3 mt -131.45 165.63 23.1 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 124.616 1.167 . . . . 0.0 108.461 -169.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 p -143.28 148.34 36.2 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.293 0.637 . . . . 0.0 109.516 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.4 mm -112.2 -42.51 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 125.245 1.418 . . . . 0.0 108.1 -178.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -55.99 -24.19 37.29 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.397 0.999 . . . . 0.0 112.871 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.57 -18.53 63.64 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.934 1.294 . . . . 0.0 113.799 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.0 t -147.1 -8.87 0.45 Allowed 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.665 1.121 . . . . 0.0 113.958 -169.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -130.52 155.78 45.91 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.098 1.359 . . . . 0.0 108.41 171.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.32 169.02 24.11 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.993 1.717 . . . . 0.0 108.365 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 39.77 60.16 6.5 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 125.56 1.544 . . . . 0.0 112.182 -173.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -67.49 170.02 14.51 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.013 2.476 . . . . 0.0 112.886 -170.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -143.54 163.94 31.75 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.759 2.024 . . . . 0.0 106.603 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.47 166.47 17.87 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.593 1.157 . . . . 0.0 111.859 -171.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.925 ' H ' ' HG ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -151.07 165.82 32.66 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 125.773 1.629 . . . . 0.0 108.968 178.456 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -149.18 103.16 3.3 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 m -63.1 -28.92 70.4 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.82 1.248 . . . . 0.0 113.015 -175.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -61.81 155.44 61.81 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 123.677 0.791 . . . . 0.0 109.911 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -64.53 159.91 42.3 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 121.822 1.681 . . . . 0.0 110.523 169.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -62.06 168.15 3.45 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.399 1.08 . . . . 0.0 112.023 -176.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -139.78 155.21 71.38 Favored Pre-proline 0 N--CA 1.466 0.357 0 C-N-CA 125.522 1.529 . . . . 0.0 108.46 -176.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -70.89 -17.84 32.13 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.684 2.256 . . . . 0.0 113.051 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -148.07 163.5 36.73 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.46 1.504 . . . . 0.0 108.837 176.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.96 152.05 44.25 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 123.289 0.368 . . . . 0.0 110.201 172.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.45 171.27 10.37 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.643 0.777 . . . . 0.0 110.63 169.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -144.43 151.67 39.56 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.192 1.397 . . . . 0.0 107.442 173.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.6 p -60.84 -29.5 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.826 0.85 . . . . 0.0 112.494 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.3 m -143.55 164.04 31.49 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.302 1.441 . . . . 0.0 108.28 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.7 mp0 -79.85 -0.24 33.87 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.693 1.197 . . . . 0.0 112.505 -173.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -57.71 132.05 52.13 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.661 1.184 . . . . 0.0 111.322 -173.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -158.81 157.81 32.31 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.394 1.478 . . . . 0.0 108.965 176.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.2 m -61.94 152.15 32.92 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.644 0.778 . . . . 0.0 110.584 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.2 m -57.97 135.58 83.79 Favored Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 123.916 0.887 . . . . 0.0 109.332 175.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -68.31 156.5 65.47 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.179 1.92 . . . . 0.0 110.949 176.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -132.61 9.58 4.29 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.991 1.317 . . . . 0.0 111.103 177.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 179.63 170.44 41.36 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 126.648 2.071 . . . . 0.0 108.152 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -144.63 156.38 44.08 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 124.072 0.949 . . . . 0.0 109.31 -176.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -155.14 165.93 35.15 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.096 1.759 . . . . 0.0 107.706 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.8 p -61.87 169.07 2.73 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.081 0.952 . . . . 0.0 109.786 168.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.0 tp -53.31 -37.8 62.59 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.547 -0.721 . . . . 0.0 111.623 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -152.33 175.22 12.9 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 126.1 1.76 . . . . 0.0 107.351 169.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.9 127.99 34.63 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 169.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -153.12 131.55 12.13 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.55 120.14 14.11 Favored 'General case' 0 N--CA 1.46 0.05 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 169.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -153.2 177.68 10.57 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 174.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -56.78 -23.11 40.85 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.509 1.124 . . . . 0.0 112.796 -174.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -16.03 11.24 Favored 'General case' 0 C--N 1.343 0.29 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 175.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.5 tt -54.49 -23.35 10.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 119.747 1.158 . . . . 0.0 112.185 171.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.72 -29.39 66.66 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.363 1.065 . . . . 0.0 112.31 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.98 -4.71 1.04 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -172.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 41.8 m -138.77 143.15 38.85 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.233 1.013 . . . . 0.0 109.605 -176.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -158.18 152.6 24.52 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 125.498 1.519 . . . . 0.0 108.129 175.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -145.58 145.96 31.19 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 170.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -143.37 18.89 1.89 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.507 1.123 . . . . 0.0 111.912 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -148.19 160.03 43.35 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 125.544 1.537 . . . . 0.0 107.734 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.31 127.6 32.88 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.941 0.791 . . . . 0.0 109.599 -173.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 8.5 tp -57.14 -32.09 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.709 0.804 . . . . 0.0 112.636 -174.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -68.03 -23.59 65.0 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt . . . . . 0 C--O 1.247 0.947 0 CA-C-O 117.873 -1.06 . . . . 0.0 108.717 -176.109 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 C--O 1.218 -0.598 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.29 160.74 42.15 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.912 1.285 . . . . 0.0 108.528 168.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.0 166.47 32.32 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.505 1.522 . . . . 0.0 109.216 174.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -65.99 -30.0 70.48 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 122.03 -0.419 . . . . 0.0 111.762 176.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -61.19 137.73 58.23 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.634 0.774 . . . . 0.0 110.063 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -152.24 153.44 33.76 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 125.455 1.502 . . . . 0.0 108.345 175.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.1 t -54.36 127.94 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 124.272 1.029 . . . . 0.0 110.214 -173.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.38 -19.61 47.64 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 118.107 -1.385 . . . . 0.0 112.566 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -63.77 164.17 10.44 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.602 1.201 . . . . 0.0 111.115 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.8 t -138.17 128.49 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -144.17 -176.06 4.86 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 125.102 1.361 . . . . 0.0 109.401 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.1 m -125.34 145.81 49.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.49 178.21 33.94 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 -177.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -117.67 136.41 53.35 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 117.46 0.63 . . . . 0.0 110.071 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 t -68.57 128.43 31.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -116.7 -8.51 11.42 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 124.734 1.214 . . . . 0.0 112.525 -172.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.61 165.27 34.88 Favored Glycine 0 C--N 1.334 0.434 0 CA-C-N 119.642 1.11 . . . . 0.0 111.308 169.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -121.36 153.32 37.93 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 124.406 1.082 . . . . 0.0 109.183 169.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -142.65 161.22 38.64 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 127.186 2.194 . . . . 0.0 106.704 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.06 -6.92 4.53 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -129.92 7.31 5.13 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.124 1.37 . . . . 0.0 113.893 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.2 177.99 40.25 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 119.836 1.198 . . . . 0.0 114.621 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.36 122.21 33.08 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.124 1.77 . . . . 0.0 108.585 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -75.65 140.52 42.61 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.2 t -135.26 113.19 15.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 174.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.04 148.42 41.97 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.547 0.739 . . . . 0.0 109.683 173.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.7 mt -125.53 -28.67 3.28 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.043 1.337 . . . . 0.0 110.709 -169.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.44 161.2 32.88 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 127.371 2.268 . . . . 0.0 106.416 -178.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.78 -10.58 2.46 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 -174.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -133.48 14.7 4.09 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.422 1.489 . . . . 0.0 111.671 174.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.9 m -138.93 134.04 32.65 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 120.544 -1.347 . . . . 0.0 109.697 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -152.16 156.36 39.65 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.938 1.695 . . . . 0.0 107.759 -175.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.59 178.71 19.14 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 170.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.9 tp -128.13 114.43 17.02 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 124.323 1.049 . . . . 0.0 108.585 -171.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.8 t -72.47 121.04 22.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 105.242 -2.133 . . . . 0.0 105.242 166.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -72.74 146.69 46.23 Favored 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 171.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.0 tt -51.96 -37.8 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 O-C-N 121.249 -0.907 . . . . 0.0 112.757 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 m -69.1 -1.88 8.8 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.529 1.132 . . . . 0.0 113.458 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -120.88 2.48 10.53 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.592 1.957 . . . . 0.0 110.5 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.3 t -76.38 -31.26 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 O-C-N 120.677 -1.264 . . . . 0.0 111.042 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.815 ' HG1' ' HD1' ' A' ' 51' ' ' HIS . 53.4 m -153.52 151.92 30.36 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 -176.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -80.51 39.53 0.47 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.536 1.134 . . . . 0.0 111.72 -175.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 178.54 -166.11 35.74 Favored Glycine 0 CA--C 1.526 0.762 0 C-N-CA 125.528 1.537 . . . . 0.0 109.485 -172.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -57.33 158.31 5.64 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.531 0.682 . . . . 0.0 111.554 175.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.4 t -122.88 126.96 74.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -58.52 -56.37 23.02 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.347 1.059 . . . . 0.0 108.752 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -165.27 142.13 5.71 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 129.595 3.158 . . . . 0.0 103.037 168.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.0 tt -57.19 -32.73 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 119.655 1.116 . . . . 0.0 113.596 -171.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -16.22 64.0 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.814 1.188 . . . . 0.0 113.623 175.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -87.92 1.57 53.75 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.45 0.7 . . . . 0.0 111.471 175.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.815 ' HD1' ' HG1' ' A' ' 41' ' ' THR . 21.6 m-70 -129.12 -26.12 2.65 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.942 1.297 . . . . 0.0 112.781 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.6 mt -140.93 165.13 28.38 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.382 1.473 . . . . 0.0 109.665 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.1 m -144.61 124.24 13.27 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.568 1.147 . . . . 0.0 108.718 -168.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.42 143.44 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 172.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.37 30.19 62.92 Favored Glycine 0 CA--C 1.527 0.826 0 CA-C-O 119.235 -0.758 . . . . 0.0 111.809 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -123.19 160.97 25.42 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 172.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -103.17 136.49 42.86 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 124.556 1.142 . . . . 0.0 109.305 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.2 m -143.86 145.6 21.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 C-N-CA 124.89 1.276 . . . . 0.0 108.558 -171.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -86.74 137.6 32.31 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 168.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 m -130.58 143.21 41.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 125.962 1.705 . . . . 0.0 109.477 -173.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -95.3 130.99 41.87 Favored 'General case' 0 CA--C 1.523 -0.077 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 168.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.9 t -66.3 122.18 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 171.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.2 tp -109.89 -27.95 9.0 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 124.651 1.18 . . . . 0.0 111.646 -175.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.46 160.99 40.07 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.677 1.191 . . . . 0.0 108.971 169.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.5 t -135.73 143.35 36.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 168.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -139.22 73.94 1.45 Allowed 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.774 1.229 . . . . 0.0 108.389 -173.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.84 -17.39 23.36 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.072 1.349 . . . . 0.0 113.983 -176.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -63.45 -24.23 67.74 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.543 0.737 . . . . 0.0 111.4 174.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm -127.62 -2.93 6.06 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.314 1.446 . . . . 0.0 111.555 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.84 33.44 87.26 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 123.517 0.58 . . . . 0.0 112.119 -174.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -100.98 161.09 13.84 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 117.973 0.887 . . . . 0.0 109.716 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.6 mt -141.01 141.34 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 m -110.41 148.47 31.95 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 169.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.6 mt -134.0 167.89 19.79 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 124.262 1.025 . . . . 0.0 109.682 -168.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.2 t -137.0 151.52 49.08 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.528 1.131 . . . . 0.0 109.467 172.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.3 mm -123.98 -28.73 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 127.11 2.164 . . . . 0.0 109.715 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -56.66 -29.47 62.34 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 120.857 1.662 . . . . 0.0 111.409 168.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.19 -23.01 64.8 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 174.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.1 p -118.14 -20.0 8.82 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.508 1.049 . . . . 0.0 112.361 -169.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -127.98 46.27 2.6 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.391 1.876 . . . . 0.0 108.354 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.95 -13.7 58.0 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.769 1.228 . . . . 0.0 113.763 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.74 151.36 15.39 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 124.158 0.983 . . . . 0.0 111.976 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -63.68 162.41 28.28 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 123.049 2.5 . . . . 0.0 111.845 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.99 -18.82 65.56 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.151 0.981 . . . . 0.0 112.931 -175.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -146.51 163.1 36.82 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.944 1.697 . . . . 0.0 108.794 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -61.7 123.73 18.75 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 170.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -82.93 -13.52 55.89 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.774 0.671 . . . . 0.0 111.239 174.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.0 m -57.89 153.24 14.46 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.256 1.422 . . . . 0.0 111.766 176.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -60.49 150.18 74.93 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-O 119.136 -0.459 . . . . 0.0 110.082 171.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.88 166.04 25.9 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.55 2.167 . . . . 0.0 111.203 174.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.2 ptt85 -61.15 166.27 3.79 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.281 0.563 . . . . 0.0 111.885 170.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -58.54 146.69 72.39 Favored Pre-proline 0 C--O 1.241 0.636 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 168.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -70.33 166.97 26.55 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 122.754 2.303 . . . . 0.0 111.189 176.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -144.67 149.1 35.1 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.337 1.455 . . . . 0.0 107.752 169.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -147.5 168.7 21.26 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 126.637 1.975 . . . . 0.0 107.719 175.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.83 -43.75 66.22 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.259 0.624 . . . . 0.0 112.519 -171.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -62.4 -14.98 46.15 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.8 m -134.42 18.61 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.542 1.537 . . . . 0.0 111.198 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.8 m -72.13 -37.05 69.55 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 120.96 -1.087 . . . . 0.0 111.926 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.61 143.16 56.18 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.951 0.782 . . . . 0.0 109.574 169.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -148.91 172.91 13.93 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.999 1.32 . . . . 0.0 110.195 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -141.61 -154.13 0.5 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.815 1.646 . . . . 0.0 109.193 -175.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.8 m -47.05 141.58 4.14 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 125.492 1.517 . . . . 0.0 111.42 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.494 ' HG1' ' HB3' ' A' ' 108' ' ' PHE . 13.4 p -64.9 154.59 85.75 Favored Pre-proline 0 CA--C 1.539 0.534 0 C-N-CA 123.963 0.905 . . . . 0.0 111.912 -174.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.58 -38.16 6.34 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.247 1.964 . . . . 0.0 110.738 169.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -74.24 163.12 28.22 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 124.174 0.99 . . . . 0.0 109.953 169.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -78.91 28.86 2.14 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.181 0.896 . . . . 0.0 113.944 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.494 ' HB3' ' HG1' ' A' ' 104' ' ' THR . 83.9 t80 -61.97 -46.55 88.77 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.967 1.384 . . . . 0.0 109.993 169.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -57.59 141.4 48.19 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.411 0.685 . . . . 0.0 110.274 168.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.8 p -120.76 -6.51 9.63 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.941 1.297 . . . . 0.0 112.15 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 93.0 mt -68.51 122.66 18.92 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 121.217 -0.927 . . . . 0.0 108.71 174.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -66.63 170.18 6.7 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.307 0.643 . . . . 0.0 111.637 174.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -149.88 162.88 39.45 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.417 1.487 . . . . 0.0 108.659 174.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -59.97 151.54 25.92 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.629 0.771 . . . . 0.0 110.481 177.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 59.8 tp -62.38 141.54 58.27 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.227 -178.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -75.01 50.75 0.48 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.879 1.271 . . . . 0.0 111.829 172.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -139.39 -41.45 0.46 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.701 2.0 . . . . 0.0 108.03 168.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 64.1 t-105 -68.27 -35.77 78.38 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.274 0.63 . . . . 0.0 110.558 168.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 22.6 pt -136.24 -164.83 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.726 2.01 . . . . 0.0 108.847 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -141.75 157.57 44.87 Favored 'General case' 0 C--O 1.243 0.715 0 C-N-CA 126.021 1.728 . . . . 0.0 107.006 167.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 15.2 tpt -148.11 -35.52 0.21 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 118.261 -0.876 . . . . 0.0 112.009 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.5 p -51.28 -51.69 51.86 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.988 1.315 . . . . 0.0 111.808 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -59.31 -47.33 85.81 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 123.985 0.914 . . . . 0.0 111.573 176.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -62.86 -41.45 99.37 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.448 0.699 . . . . 0.0 110.963 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -74.01 -9.43 58.62 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.591 1.557 . . . . 0.0 112.089 178.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.7 t0 48.51 53.66 11.74 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 123.299 1.524 . . . . 0.0 110.987 -169.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 61.0 tp -132.99 139.11 47.09 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 125.231 1.412 . . . . 0.0 108.708 -176.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.0 tp -148.1 146.6 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 125.712 1.605 . . . . 0.0 107.115 169.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -134.25 21.61 3.73 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.8 0.84 . . . . 0.0 112.053 -170.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt . . . . . 0 C--O 1.248 1.02 0 CA-C-O 116.903 -1.522 . . . . 0.0 109.367 171.002 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 tpt . . . . . 0 N--CA 1.47 0.566 0 CA-C-O 118.636 -0.697 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.7 179.12 7.18 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.847 1.259 . . . . 0.0 110.247 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.96 168.03 20.76 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.191 1.797 . . . . 0.0 109.731 170.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -129.17 15.4 6.2 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.285 1.034 . . . . 0.0 112.325 -168.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -136.96 170.26 16.41 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.426 1.491 . . . . 0.0 108.697 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -140.02 145.7 38.09 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.491 1.116 . . . . 0.0 108.743 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 m -55.17 142.0 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 124.617 1.167 . . . . 0.0 111.674 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.86 -12.22 53.93 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-O 117.976 -1.458 . . . . 0.0 113.557 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 m -65.33 165.68 11.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 119.059 1.429 . . . . 0.0 110.726 172.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.5 t -139.63 127.11 25.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -140.64 179.97 6.38 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.458 1.103 . . . . 0.0 109.324 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.2 m -121.95 143.54 49.41 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.79 -178.97 29.64 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -174.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -121.49 136.49 54.95 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 117.607 0.703 . . . . 0.0 110.215 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.3 t -71.69 126.74 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 -175.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -115.1 -7.25 12.49 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.877 1.271 . . . . 0.0 112.227 -171.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.35 165.7 37.32 Favored Glycine 0 C--N 1.331 0.304 0 CA-C-N 119.384 0.993 . . . . 0.0 110.734 169.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.2 mt -130.78 148.76 52.6 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 124.871 1.268 . . . . 0.0 107.802 173.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -146.97 158.22 43.86 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.521 1.928 . . . . 0.0 106.857 -176.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.64 -3.06 1.97 Allowed 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -130.33 6.12 4.86 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.328 1.451 . . . . 0.0 114.446 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.48 178.11 39.43 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 119.81 1.186 . . . . 0.0 114.532 175.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.68 120.89 29.02 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 126.242 1.817 . . . . 0.0 108.57 -177.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -74.5 141.35 44.89 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 173.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.0 t -137.25 111.55 9.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 176.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.14 142.47 55.74 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.114 0.566 . . . . 0.0 109.692 168.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.5 mt -123.34 -32.58 3.39 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 123.186 0.594 . . . . 0.0 111.296 -167.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.11 162.3 38.0 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 125.371 1.468 . . . . 0.0 107.437 -169.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -57.86 -14.99 7.06 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.895 1.278 . . . . 0.0 113.71 -176.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -129.23 6.05 5.32 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.438 1.495 . . . . 0.0 111.344 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 m -143.8 141.75 30.54 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-O 123.424 1.583 . . . . 0.0 112.281 -168.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -146.1 156.36 43.39 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 127.14 2.176 . . . . 0.0 107.75 177.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.15 -177.08 15.53 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 171.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.9 tp -133.07 113.33 12.64 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.688 1.195 . . . . 0.0 108.272 -171.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.4 t -70.7 119.34 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 165.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -74.32 149.82 40.45 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.978 1.263 . . . . 0.0 108.171 171.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.2 tt -53.31 -33.9 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 120.957 -1.089 . . . . 0.0 112.831 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -64.01 -9.87 18.44 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.249 1.819 . . . . 0.0 113.917 176.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -122.61 0.46 9.34 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 126.017 1.727 . . . . 0.0 110.46 -169.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.1 t -69.59 -38.15 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 O-C-N 120.961 -1.087 . . . . 0.0 111.357 178.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.5 t -155.07 162.25 41.09 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.306 1.042 . . . . 0.0 109.649 177.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -75.63 56.7 0.92 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.144 1.378 . . . . 0.0 110.876 169.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -179.02 179.97 48.81 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 123.643 0.64 . . . . 0.0 111.555 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -60.2 161.42 7.05 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.697 0.76 . . . . 0.0 111.271 169.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.0 t -121.91 113.55 39.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -56.5 -53.46 57.18 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.521 0.729 . . . . 0.0 110.438 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -159.78 139.02 11.05 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 103.826 -2.657 . . . . 0.0 103.826 169.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.6 tt -56.4 -33.15 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 121.082 1.765 . . . . 0.0 113.505 -172.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -12.06 60.03 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 175.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -74.97 -21.24 59.28 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 121.223 -0.923 . . . . 0.0 112.4 168.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -114.68 -25.17 8.39 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.734 0.814 . . . . 0.0 112.845 -169.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.5 mt -140.12 167.01 23.12 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 126.176 1.791 . . . . 0.0 109.125 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 m -142.47 124.31 15.15 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -175.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.1 p -59.28 145.52 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 O-C-N 121.204 -0.935 . . . . 0.0 110.561 167.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.38 32.34 71.84 Favored Glycine 0 CA--C 1.526 0.756 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.107 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -126.87 161.77 27.48 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.95 0.9 . . . . 0.0 108.805 174.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -101.67 135.57 42.98 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.643 1.177 . . . . 0.0 109.916 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.9 m -144.24 143.42 23.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 C-N-CA 125.052 1.341 . . . . 0.0 109.083 -172.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -80.51 138.14 36.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 166.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 m -132.61 146.32 33.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 126.136 1.774 . . . . 0.0 109.901 -177.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -95.38 134.04 38.64 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 167.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.76 113.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 168.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -90.15 -41.83 11.41 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.412 0.685 . . . . 0.0 111.164 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.92 166.19 33.27 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 125.491 1.516 . . . . 0.0 108.777 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.23 147.03 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 124.813 1.245 . . . . 0.0 108.783 173.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -135.38 101.97 5.0 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 168.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -77.56 -12.34 59.95 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -173.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -76.38 -45.06 33.52 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 118.772 0.715 . . . . 0.0 109.288 172.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.25 -24.61 65.82 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.673 0.789 . . . . 0.0 110.859 167.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.29 43.18 93.4 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 123.614 0.626 . . . . 0.0 111.632 -174.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.8 162.05 34.3 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 118.093 0.947 . . . . 0.0 111.34 -173.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 78.1 mt -133.42 138.4 51.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -176.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 m -96.28 145.96 25.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 166.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.1 mt -132.82 166.33 22.52 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 123.68 0.792 . . . . 0.0 110.096 -170.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 m -135.27 150.3 50.0 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 123.949 0.9 . . . . 0.0 109.889 171.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.5 mm -117.59 -24.73 3.26 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 C-N-CA 125.917 1.687 . . . . 0.0 110.403 171.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -54.45 -27.16 35.39 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.923 1.238 . . . . 0.0 113.297 169.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.77 -19.05 58.05 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 56.5 p -122.92 -22.84 5.15 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.229 0.922 . . . . 0.0 112.797 -168.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -142.61 154.48 44.43 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.559 1.544 . . . . 0.0 108.811 -178.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.62 -40.33 84.68 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.673 -0.642 . . . . 0.0 110.652 169.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 36.96 59.04 3.8 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 126.751 2.02 . . . . 0.0 113.003 -175.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.75 162.21 43.35 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.988 2.459 . . . . 0.0 112.648 -172.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.04 142.69 57.38 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.134 0.974 . . . . 0.0 110.707 170.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -157.3 171.89 19.59 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.587 1.555 . . . . 0.0 109.274 168.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -129.26 91.32 3.16 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 176.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -150.27 -5.82 0.32 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.956 1.302 . . . . 0.0 112.342 -172.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.0 19.38 3.23 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.6 1.56 . . . . 0.0 110.424 -168.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -54.84 155.04 8.59 Favored Pre-proline 0 CA--C 1.536 0.408 0 O-C-N 121.061 -1.024 . . . . 0.0 111.068 167.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -63.27 158.5 44.22 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.221 1.947 . . . . 0.0 110.469 171.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -125.58 1.86 7.58 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.513 0.725 . . . . 0.0 112.826 -169.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt 40.05 61.66 6.17 Favored Pre-proline 0 N--CA 1.471 0.625 0 C-N-CA 125.555 1.542 . . . . 0.0 111.622 -175.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.99 155.45 69.61 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 121.868 1.712 . . . . 0.0 110.4 170.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -65.49 140.14 58.56 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.421 -0.799 . . . . 0.0 109.27 172.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -148.75 145.66 27.72 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.47 1.108 . . . . 0.0 108.016 167.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -148.74 164.85 33.17 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 125.147 1.379 . . . . 0.0 109.826 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -61.88 147.77 45.57 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 124.274 0.984 . . . . 0.0 111.123 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 8.2 m -148.68 170.38 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 126.463 1.905 . . . . 0.0 109.717 -175.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.0 m -54.99 137.83 45.15 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.495 -0.753 . . . . 0.0 109.019 167.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -153.47 154.9 35.27 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.187 0.595 . . . . 0.0 109.787 -170.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -137.14 -17.18 1.38 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.04 1.736 . . . . 0.0 111.866 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.68 150.62 43.93 Favored 'General case' 0 C--N 1.341 0.212 0 O-C-N 121.244 -0.91 . . . . 0.0 110.678 169.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.8 m -133.93 158.55 43.2 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 124.743 1.217 . . . . 0.0 110.318 -174.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.8 p -54.53 148.29 25.78 Favored Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 124.337 1.055 . . . . 0.0 112.063 172.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.42 -25.71 17.88 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.421 2.081 . . . . 0.0 113.15 -176.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -60.73 141.08 57.25 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.592 -0.693 . . . . 0.0 110.397 177.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 177.61 37.13 0.06 OUTLIER Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -178.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -66.53 -28.5 68.6 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.156 0.982 . . . . 0.0 112.915 -170.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -152.51 159.04 43.34 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.491 1.516 . . . . 0.0 108.419 174.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.4 p -60.02 157.61 12.53 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.745 0.783 . . . . 0.0 111.8 168.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 65.1 tp -149.09 129.15 13.53 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.809 1.244 . . . . 0.0 108.847 178.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -68.05 -44.32 76.65 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 118.844 -0.598 . . . . 0.0 111.043 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -58.56 141.57 51.73 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.887 0.742 . . . . 0.0 111.632 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -147.64 150.45 34.42 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 125.018 1.327 . . . . 0.0 107.885 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 66.2 tp -146.51 -43.5 0.19 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.616 1.166 . . . . 0.0 110.105 171.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -153.95 162.91 40.85 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.316 1.846 . . . . 0.0 108.18 173.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -147.61 30.53 0.9 Allowed 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 124.282 1.033 . . . . 0.0 111.396 -174.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 9.8 m-90 -130.45 167.07 19.21 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 124.394 1.078 . . . . 0.0 111.3 -174.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 9.8 tp -137.93 135.61 45.41 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 C-N-CA 124.421 1.089 . . . . 0.0 108.99 172.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -160.31 177.49 10.57 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 126.477 1.911 . . . . 0.0 108.378 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 78.1 mtm -140.45 161.87 36.68 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 124.227 1.011 . . . . 0.0 109.829 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.3 m -140.29 158.59 43.8 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.262 1.825 . . . . 0.0 108.624 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -156.48 126.27 6.35 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 124.108 0.963 . . . . 0.0 110.326 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.94 123.89 18.89 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 167.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.8 pttt -61.24 168.51 2.57 Favored 'General case' 0 C--O 1.231 0.103 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 175.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -56.91 172.07 0.3 Allowed 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.069 0.948 . . . . 0.0 111.25 166.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -0.48 2.38 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 174.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.5 tt -53.21 140.99 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 C-N-CA 126.034 1.734 . . . . 0.0 112.159 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -72.57 -20.24 61.35 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 60.6 mttp . . . . . 0 C--O 1.245 0.853 0 CA-C-O 117.142 -1.409 . . . . 0.0 110.035 178.245 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mpp? . . . . . 0 N--CA 1.472 0.628 0 CA-C-O 117.142 -1.408 . . . . 0.0 107.522 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.29 166.21 27.77 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 125.062 1.345 . . . . 0.0 109.151 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.96 173.25 11.71 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.47 1.908 . . . . 0.0 109.884 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -130.64 17.12 5.3 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.556 1.142 . . . . 0.0 111.143 -171.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -139.74 164.36 30.15 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 125.672 1.589 . . . . 0.0 108.715 -172.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -140.23 148.53 41.64 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.345 1.458 . . . . 0.0 107.867 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.1 m -54.89 140.62 12.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 124.595 1.158 . . . . 0.0 112.538 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.9 -21.95 27.81 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 117.261 -1.855 . . . . 0.0 112.969 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 m -63.19 164.58 8.47 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 118.798 1.299 . . . . 0.0 110.955 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.9 t -138.94 129.63 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -140.93 -175.28 4.25 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.933 1.293 . . . . 0.0 109.576 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -120.51 146.15 46.57 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.32 -176.0 24.51 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 124.966 1.27 . . . . 0.0 110.16 -177.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -125.97 135.08 51.42 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 117.864 0.832 . . . . 0.0 110.372 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.2 t -70.85 126.89 32.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -174.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -111.66 -11.83 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.948 1.299 . . . . 0.0 112.21 -173.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.75 166.0 35.46 Favored Glycine 0 C--N 1.334 0.44 0 O-C-N 120.957 -1.089 . . . . 0.0 110.899 168.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.6 mt -118.93 151.06 38.83 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 123.994 0.918 . . . . 0.0 108.851 167.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -141.89 160.43 40.22 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 127.35 2.26 . . . . 0.0 106.429 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -7.53 4.12 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -120.28 -2.64 10.07 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.649 1.58 . . . . 0.0 113.499 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.95 -178.05 39.51 Favored Glycine 0 C--N 1.339 0.721 0 CA-C-N 120.181 1.355 . . . . 0.0 114.326 -178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.87 120.01 32.2 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 126.504 1.922 . . . . 0.0 108.357 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -71.38 137.73 48.61 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 170.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.6 t -135.01 110.69 12.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.89 142.28 57.96 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.321 0.581 . . . . 0.0 110.21 168.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.6 mt -120.65 -30.39 4.5 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 124.537 1.135 . . . . 0.0 110.338 -168.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -153.69 171.19 19.22 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 125.875 1.67 . . . . 0.0 107.133 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -60.05 -11.79 6.71 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.856 1.662 . . . . 0.0 113.109 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -137.46 14.17 2.98 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.057 1.343 . . . . 0.0 112.601 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.7 m -148.32 143.35 26.84 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 121.243 -0.911 . . . . 0.0 111.339 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -148.89 156.22 41.99 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 126.453 1.901 . . . . 0.0 108.273 -177.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.55 -178.65 16.44 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 170.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.0 tp -130.47 103.52 6.71 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 -169.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.9 t -60.34 115.13 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 163.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -71.84 146.46 47.95 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.212 0.915 . . . . 0.0 108.698 172.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.5 tt -52.84 -36.76 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 120.95 -1.094 . . . . 0.0 112.947 -172.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -66.39 -8.05 23.12 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.858 1.263 . . . . 0.0 113.798 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -115.52 2.79 13.91 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.95 1.7 . . . . 0.0 111.361 -175.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.9 t -73.28 -38.45 54.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.256 -178.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 m -156.7 155.5 31.8 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -69.45 -40.9 76.88 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 120.735 -1.228 . . . . 0.0 112.653 177.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.04 153.4 38.54 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 169.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -59.19 120.94 10.14 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.197 0.599 . . . . 0.0 110.539 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.1 t -82.07 69.91 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 125.351 1.461 . . . . 0.0 107.931 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -58.26 -30.76 66.83 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -148.33 128.53 13.76 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 166.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.9 tt -64.72 -33.52 63.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -174.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -16.56 64.4 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 176.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -82.06 -5.06 58.1 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.008 0.822 . . . . 0.0 111.623 170.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -129.5 -10.24 4.57 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 121.006 -1.059 . . . . 0.0 113.659 -169.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.9 tp -156.35 175.63 13.75 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 125.42 1.488 . . . . 0.0 109.426 167.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.1 m -144.21 132.12 21.48 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.824 0.85 . . . . 0.0 109.074 -172.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.9 t -64.88 148.71 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 170.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.28 29.0 72.08 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-O 118.719 -1.045 . . . . 0.0 111.78 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -122.38 158.83 28.8 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -96.94 134.92 39.66 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.777 1.231 . . . . 0.0 110.346 176.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.0 m -142.47 143.31 26.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 124.427 1.091 . . . . 0.0 108.905 -169.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.37 141.55 41.47 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 165.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -138.61 133.17 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 124.727 1.211 . . . . 0.0 109.619 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -86.88 132.95 33.67 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 166.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.2 t -66.35 117.11 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 167.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.3 tp -101.06 -34.38 9.76 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 123.62 0.768 . . . . 0.0 111.371 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.43 162.25 40.8 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 124.749 1.22 . . . . 0.0 108.926 173.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.3 p -147.17 143.67 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.809 1.243 . . . . 0.0 107.961 166.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -143.53 104.99 4.29 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 125.308 1.443 . . . . 0.0 107.358 176.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -77.47 -20.85 53.77 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 123.831 0.852 . . . . 0.0 112.849 -175.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.38 -42.13 59.8 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.807 0.73 . . . . 0.0 110.31 173.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -71.49 -21.46 61.93 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 121.289 -0.882 . . . . 0.0 111.487 168.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.58 53.23 40.05 Favored Glycine 0 CA--C 1.524 0.643 0 CA-C-O 119.038 -0.868 . . . . 0.0 111.619 -173.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -142.04 158.87 43.25 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.644 1.178 . . . . 0.0 110.306 -172.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 69.5 mt -138.58 136.23 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 173.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 m -106.35 147.35 29.33 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 170.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.6 mt -133.86 166.71 22.04 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.782 0.833 . . . . 0.0 109.976 -168.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.3 t -133.45 146.01 50.77 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 168.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.7 mm -104.4 -45.82 9.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 126.449 1.9 . . . . 0.0 108.082 174.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -57.29 -27.63 62.3 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 123.908 0.883 . . . . 0.0 112.613 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.34 -10.41 54.73 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 117.493 -1.241 . . . . 0.0 114.268 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.0 t -146.56 -26.03 0.42 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 120.506 1.503 . . . . 0.0 113.134 -168.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -141.44 -164.18 1.71 Allowed 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.527 -1.358 . . . . 0.0 109.427 169.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -130.43 -169.95 2.24 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.488 1.115 . . . . 0.0 109.61 167.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.66 147.2 15.6 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 123.197 0.599 . . . . 0.0 111.367 169.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.32 -36.29 98.92 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 123.154 2.569 . . . . 0.0 113.624 173.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 53.14 23.11 2.88 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.351 1.461 . . . . 0.0 113.163 -176.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -63.23 145.19 56.04 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 120.82 -1.175 . . . . 0.0 109.631 171.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -133.83 -171.32 2.7 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 125.051 1.34 . . . . 0.0 108.123 166.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.8 mp0 -58.07 133.11 55.27 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 122.23 1.014 . . . . 0.0 109.639 170.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.9 m -70.86 -22.67 62.27 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.455 -1.403 . . . . 0.0 112.487 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -142.51 161.77 48.09 Favored Pre-proline 0 CA--C 1.538 0.5 0 C-N-CA 126.193 1.797 . . . . 0.0 108.169 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -61.47 161.3 24.46 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.635 2.223 . . . . 0.0 111.624 176.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -54.87 135.22 48.22 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.338 1.055 . . . . 0.0 110.791 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -152.31 148.2 20.74 Favored Pre-proline 0 CA--C 1.539 0.53 0 C-N-CA 126.614 1.966 . . . . 0.0 106.153 174.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.83 -38.81 68.37 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.151 2.568 . . . . 0.0 114.062 -177.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -139.38 141.08 37.59 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 167.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -160.14 163.41 33.76 Favored 'General case' 0 C--O 1.225 -0.184 0 C-N-CA 125.305 1.442 . . . . 0.0 109.366 173.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.08 157.03 42.71 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 126.462 1.905 . . . . 0.0 107.542 168.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -77.53 23.71 0.22 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 32.8 m -71.9 14.62 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 126.466 1.906 . . . . 0.0 114.077 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.1 m -49.33 134.66 18.34 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.64 1.576 . . . . 0.0 112.542 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.18 -29.18 70.19 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.006 0.923 . . . . 0.0 111.515 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.17 -21.66 66.33 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.126 0.971 . . . . 0.0 112.124 176.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 49.97 32.61 5.81 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.911 1.685 . . . . 0.0 113.552 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.9 m -53.68 146.85 12.53 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 125.631 1.573 . . . . 0.0 111.117 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.0 p -58.59 148.5 66.11 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 122.541 0.336 . . . . 0.0 111.589 171.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -71.16 168.49 23.14 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 121.966 1.777 . . . . 0.0 109.608 168.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.82 160.63 29.77 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.921 -0.487 . . . . 0.0 111.448 164.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.8 -38.5 3.21 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 124.12 0.867 . . . . 0.0 112.171 168.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -146.84 157.97 43.8 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.437 -1.037 . . . . 0.0 111.012 175.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -86.06 149.42 25.16 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.754 0.822 . . . . 0.0 110.824 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.5 p -131.0 -10.54 3.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.7 1.6 . . . . 0.0 112.76 170.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.1 tp -62.61 144.52 56.12 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.134 -0.979 . . . . 0.0 109.681 166.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.63 -50.75 70.0 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.617 0.367 . . . . 0.0 110.565 175.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -67.75 157.3 35.0 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 123.461 0.704 . . . . 0.0 111.456 169.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -60.7 116.66 4.56 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.493 -0.754 . . . . 0.0 110.105 174.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 59.4 tp -59.57 152.33 22.35 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.812 0.445 . . . . 0.0 110.24 165.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -135.81 150.98 49.63 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.428 1.491 . . . . 0.0 107.065 166.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -72.48 12.38 0.48 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.59 1.556 . . . . 0.0 112.319 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -134.67 16.56 3.62 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.438 1.895 . . . . 0.0 111.568 -169.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 41.7 pt -122.57 154.51 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 124.453 1.101 . . . . 0.0 109.697 167.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -60.43 -26.91 67.07 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.844 1.257 . . . . 0.0 112.088 -169.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 13.4 tpt -53.77 -35.09 60.93 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.953 0.901 . . . . 0.0 112.369 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 84.5 p -61.05 -27.28 68.22 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 65.8 t30 46.66 31.35 1.37 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.807 1.643 . . . . 0.0 112.833 -169.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.9 ttp85 -62.17 152.79 32.17 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.569 -1.332 . . . . 0.0 110.16 173.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -57.11 155.47 8.4 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.711 0.804 . . . . 0.0 111.455 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -61.02 -27.58 68.43 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 114.833 -1.076 . . . . 0.0 112.249 175.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 33.3 tp -69.68 66.93 0.23 Allowed 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.633 -1.292 . . . . 0.0 111.542 166.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -13.24 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 125.49 1.516 . . . . 0.0 114.699 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -53.5 -37.3 62.6 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.943 0.792 . . . . 0.0 112.689 165.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.3 tpmt? . . . . . 0 C--O 1.245 0.827 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.029 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.3 ttp . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.36 166.8 24.07 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.293 1.437 . . . . 0.0 109.538 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.56 153.04 20.61 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.197 0.599 . . . . 0.0 111.511 173.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -70.64 -32.52 69.85 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 56.77 162.14 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.926 1.691 . . . . 0.0 111.997 -164.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -157.57 149.9 22.63 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.0 m -51.48 135.92 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 124.571 1.148 . . . . 0.0 111.997 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.95 -9.68 59.57 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-O 117.832 -1.538 . . . . 0.0 113.878 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -65.1 163.18 15.41 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 119.597 1.699 . . . . 0.0 110.591 167.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.4 t -138.77 128.88 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -141.16 -175.2 4.24 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.997 1.319 . . . . 0.0 108.88 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.7 m -120.48 147.75 44.71 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.844 0.858 . . . . 0.0 108.821 175.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.6 -177.96 26.76 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 124.848 1.213 . . . . 0.0 110.168 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -121.52 136.57 54.94 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 117.598 0.699 . . . . 0.0 110.464 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 t -70.27 125.49 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -177.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -112.23 -9.24 13.92 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 125.228 1.411 . . . . 0.0 112.004 -171.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.74 169.35 42.04 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 169.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.4 mt -123.27 159.14 29.39 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 125.064 1.345 . . . . 0.0 108.278 170.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -148.13 159.74 43.62 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 126.25 1.82 . . . . 0.0 106.824 173.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.76 -5.82 1.03 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -131.48 5.1 4.35 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.686 -1.259 . . . . 0.0 114.395 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.69 178.74 39.44 Favored Glycine 0 CA--C 1.524 0.656 0 CA-C-N 119.878 1.217 . . . . 0.0 112.712 177.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -128.03 140.62 51.86 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.931 0.892 . . . . 0.0 109.748 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -85.27 139.93 31.23 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.8 t -134.93 118.82 25.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 174.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.48 148.85 27.9 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.536 0.735 . . . . 0.0 110.84 171.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.4 mt -119.15 -30.27 5.01 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 125.636 1.574 . . . . 0.0 110.693 -174.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -157.84 162.99 38.43 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 126.733 2.013 . . . . 0.0 107.042 -178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -50.57 -21.71 1.66 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.566 1.146 . . . . 0.0 114.028 170.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -122.43 4.67 9.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.704 1.201 . . . . 0.0 111.957 -177.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 m -140.75 130.65 24.49 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 119.804 1.184 . . . . 0.0 109.952 -175.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -159.79 150.84 19.43 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.443 1.497 . . . . 0.0 108.272 -172.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.03 -173.86 20.09 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 -175.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.8 tp -135.02 127.43 30.43 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 125.831 1.652 . . . . 0.0 108.05 -168.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 p -99.65 125.53 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 166.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -70.11 150.41 46.58 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 175.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.7 tt -52.97 -36.54 24.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 124.103 0.961 . . . . 0.0 113.13 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 p -64.44 -23.32 67.24 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 175.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -98.91 2.36 46.47 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.086 1.354 . . . . 0.0 111.641 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.0 t -71.19 -32.21 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.82 176.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 74.2 m -155.48 154.05 31.24 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -175.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -78.07 36.96 0.24 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.879 1.672 . . . . 0.0 112.639 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -168.91 -175.23 38.16 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -176.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -63.06 147.71 49.94 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 117.346 0.573 . . . . 0.0 110.694 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.3 t -129.71 78.58 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 N-CA-C 105.407 -2.071 . . . . 0.0 105.407 -178.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -57.43 -30.1 64.71 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 117.621 -1.18 . . . . 0.0 113.673 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -149.75 136.14 19.08 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 124.42 1.075 . . . . 0.0 108.367 166.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.4 tt -62.4 -35.64 70.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 117.744 -1.122 . . . . 0.0 113.279 -178.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -16.88 64.42 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 120.165 1.348 . . . . 0.0 113.325 -178.336 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -78.99 -12.22 60.03 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.222 -0.924 . . . . 0.0 112.606 171.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -128.58 -16.75 4.24 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.412 1.085 . . . . 0.0 113.111 -167.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.403 ' HG ' ' H ' ' A' ' 53' ' ' SER . 4.3 tp -146.25 175.03 10.82 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.433 1.493 . . . . 0.0 109.109 169.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.403 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 49.3 m -150.06 125.56 10.25 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.734 1.213 . . . . 0.0 107.943 -170.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -61.34 148.3 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 O-C-N 121.218 -0.926 . . . . 0.0 110.741 165.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.49 32.26 67.94 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 118.911 -0.938 . . . . 0.0 112.001 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -127.15 161.86 27.49 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.821 0.848 . . . . 0.0 109.001 174.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -103.93 133.97 48.01 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.22 1.408 . . . . 0.0 109.552 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.3 m -144.91 141.97 23.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 C-N-CA 124.063 0.945 . . . . 0.0 109.217 -170.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -70.96 139.94 50.77 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 164.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -132.62 134.29 58.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 125.892 1.677 . . . . 0.0 109.205 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -88.59 131.31 35.01 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 166.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.95 115.46 2.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 123.626 0.771 . . . . 0.0 109.012 169.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.4 tp -91.61 -38.84 12.22 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 124.119 0.968 . . . . 0.0 111.235 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.63 158.49 39.77 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.947 1.299 . . . . 0.0 108.958 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.9 t -137.78 138.1 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 170.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -144.71 96.04 2.8 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -74.2 -14.46 60.94 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.718 0.807 . . . . 0.0 112.471 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -76.31 -45.33 32.89 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 119.453 1.024 . . . . 0.0 109.195 174.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -68.2 -26.18 65.59 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.392 169.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.5 45.46 59.76 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 124.021 0.819 . . . . 0.0 111.213 -169.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -133.8 158.83 42.36 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.299 -1.118 . . . . 0.0 110.538 -173.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.2 mt -135.53 138.98 47.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 171.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.0 m -107.38 151.21 25.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 167.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.4 mt -135.49 168.73 18.68 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.302 1.441 . . . . 0.0 108.307 -167.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.9 p -146.13 154.62 42.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.327 -0.858 . . . . 0.0 109.991 175.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.1 mm -125.01 -27.9 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 C-N-CA 125.567 1.547 . . . . 0.0 110.358 -176.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -57.65 -23.17 49.93 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 120.442 1.473 . . . . 0.0 112.582 169.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.61 -18.79 59.59 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.675 1.19 . . . . 0.0 114.183 173.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.0 p -123.74 -23.89 4.61 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.708 1.14 . . . . 0.0 112.309 -167.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -135.84 175.4 9.63 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.351 1.861 . . . . 0.0 108.932 -178.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -132.61 160.45 36.61 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.686 1.194 . . . . 0.0 111.228 -173.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.1 150.74 49.85 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 123.496 0.718 . . . . 0.0 111.634 173.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -66.98 162.74 36.7 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.219 1.946 . . . . 0.0 110.634 171.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -70.23 -21.01 63.05 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.133 0.573 . . . . 0.0 112.09 -176.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -151.06 155.88 39.91 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.547 1.539 . . . . 0.0 107.864 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -131.1 171.61 13.06 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.013 1.325 . . . . 0.0 107.68 169.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -135.82 157.73 46.15 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 176.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.7 m -60.87 -54.63 42.68 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.663 0.785 . . . . 0.0 110.749 -174.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.3 tttm -77.33 145.5 72.57 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.896 1.279 . . . . 0.0 109.39 171.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -51.47 153.47 10.33 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.023 2.482 . . . . 0.0 112.79 168.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.3 ptp85 -75.22 -14.63 60.54 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -172.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -59.27 147.32 75.93 Favored Pre-proline 0 CA--C 1.538 0.511 0 O-C-N 121.025 -1.047 . . . . 0.0 109.549 175.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.76 -23.67 69.09 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 122.717 2.278 . . . . 0.0 114.059 -169.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -133.4 19.15 3.97 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.476 1.111 . . . . 0.0 112.66 176.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 50.35 26.96 2.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.278 1.431 . . . . 0.0 114.007 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.19 55.89 1.58 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.244 1.018 . . . . 0.0 111.197 176.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -61.69 172.25 1.32 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.713 1.205 . . . . 0.0 113.342 176.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.9 m -124.19 149.79 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 125.906 1.683 . . . . 0.0 107.535 166.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.6 m -131.96 -24.89 2.1 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.166 0.586 . . . . 0.0 111.793 -171.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.0 mp0 -142.08 -49.88 0.38 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 126.941 2.096 . . . . 0.0 105.474 166.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' 103' ' ' SER . 45.5 mt-10 -136.97 -150.97 0.38 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 129.382 3.073 . . . . 0.0 103.986 165.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.78 36.19 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.868 0 O-C-N 120.545 -1.347 . . . . 0.0 112.679 164.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 101' ' ' GLU . 1.1 p -54.51 -50.75 67.09 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.906 1.682 . . . . 0.0 111.075 173.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.3 p -72.28 129.07 88.03 Favored Pre-proline 0 CA--C 1.539 0.538 0 C-N-CA 123.563 0.745 . . . . 0.0 109.699 165.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -70.38 -43.08 2.32 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 121.397 1.398 . . . . 0.0 110.146 169.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -144.7 168.86 19.18 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.802 2.041 . . . . 0.0 107.757 170.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.62 -176.93 34.01 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.123 0.868 . . . . 0.0 112.608 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -145.89 177.64 8.78 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.009 1.724 . . . . 0.0 108.944 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -131.69 127.02 36.02 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 124.0 0.92 . . . . 0.0 109.677 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.3 p -73.92 -47.84 34.97 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.535 1.134 . . . . 0.0 111.848 176.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.5 tp -156.92 144.13 18.78 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 125.897 1.679 . . . . 0.0 108.038 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -58.15 137.52 56.92 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.681 0.792 . . . . 0.0 109.66 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -62.41 -32.92 73.83 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.525 0.73 . . . . 0.0 112.484 -176.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -143.34 127.04 17.06 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 173.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 64.6 tp -61.87 126.26 26.72 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 123.212 0.605 . . . . 0.0 110.116 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -146.91 171.19 15.6 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.111 1.764 . . . . 0.0 106.896 169.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -125.46 -9.74 6.88 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.29 0.636 . . . . 0.0 111.814 -175.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -68.34 168.94 11.51 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 120.78 -1.2 . . . . 0.0 112.293 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 34.0 pt -64.47 -26.33 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 117.413 -1.279 . . . . 0.0 112.848 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 69.41 -34.36 0.28 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.902 2.481 . . . . 0.0 113.609 173.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 64.3 ttp -151.61 146.79 26.09 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.002 1.721 . . . . 0.0 106.717 172.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.0 m -60.05 -18.04 43.64 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.504 1.121 . . . . 0.0 114.006 -172.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -138.18 32.33 2.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.773 1.229 . . . . 0.0 111.499 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -54.69 141.46 32.14 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.194 -1.566 . . . . 0.0 109.448 167.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -53.96 140.18 31.88 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 169.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -79.5 49.98 1.07 Allowed 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 122.891 1.329 . . . . 0.0 110.666 171.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.29 137.03 58.2 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 120.321 -1.487 . . . . 0.0 110.748 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 2.0 pp -138.55 172.05 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 126.023 1.729 . . . . 0.0 109.128 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -70.6 73.71 0.55 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.15 0.98 . . . . 0.0 110.667 173.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 60.1 tptt . . . . . 0 C--O 1.252 1.236 0 CA-C-O 116.554 -1.688 . . . . 0.0 109.358 172.713 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp . . . . . 0 N--CA 1.468 0.455 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.09 -17.91 64.51 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.135 0.974 . . . . 0.0 112.393 173.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.91 172.38 12.93 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.269 1.828 . . . . 0.0 109.249 175.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -62.45 -24.73 67.59 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -67.19 141.64 57.27 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 123.907 0.883 . . . . 0.0 110.309 -174.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -148.9 154.89 40.09 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.685 1.594 . . . . 0.0 107.315 170.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.1 m -48.57 132.92 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 124.824 1.249 . . . . 0.0 111.862 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.97 -15.75 58.63 Favored Glycine 0 CA--C 1.529 0.918 0 CA-C-O 117.69 -1.617 . . . . 0.0 113.545 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -63.73 165.46 8.37 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 119.155 1.477 . . . . 0.0 111.075 177.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -139.41 125.9 23.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -145.05 -175.69 4.79 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 125.069 1.348 . . . . 0.0 109.426 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -122.21 147.7 45.86 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.743 0.817 . . . . 0.0 109.156 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.67 -177.67 30.03 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 125.361 1.458 . . . . 0.0 110.295 -174.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -126.73 134.2 50.71 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 117.865 0.833 . . . . 0.0 110.138 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 t -71.67 124.27 27.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -174.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -107.24 -12.75 15.3 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.762 1.225 . . . . 0.0 112.647 -174.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.57 164.1 34.89 Favored Glycine 0 C--N 1.334 0.425 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 170.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.0 mt -131.35 149.4 52.56 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 125.005 1.322 . . . . 0.0 108.036 175.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -154.93 157.46 37.78 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 -170.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.07 -19.61 13.72 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 175.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -106.73 -13.21 15.33 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.459 1.104 . . . . 0.0 112.785 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.22 174.19 28.62 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 119.653 1.115 . . . . 0.0 114.287 -176.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.3 127.69 55.62 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 126.063 1.745 . . . . 0.0 109.32 -173.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -78.04 142.62 38.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 170.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.11 119.49 12.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.71 145.63 51.77 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.188 1.395 . . . . 0.0 111.009 169.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.4 mt -135.66 -46.99 0.68 Allowed 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 125.461 1.504 . . . . 0.0 107.262 170.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.25 153.32 27.33 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 128.956 2.903 . . . . 0.0 104.958 168.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.74 -8.82 7.44 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 -171.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -122.09 11.18 10.18 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.142 1.377 . . . . 0.0 111.063 173.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.6 m -137.68 -3.37 1.87 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.509 1.124 . . . . 0.0 111.451 -169.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.22 161.11 0.45 Allowed 'General case' 0 C--O 1.232 0.179 0 O-C-N 120.783 -1.198 . . . . 0.0 112.453 174.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.25 -175.95 15.24 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-O 121.557 0.532 . . . . 0.0 112.78 -174.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 40.6 tp -133.99 116.17 15.22 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 125.318 1.447 . . . . 0.0 108.049 -171.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.0 t -79.92 118.62 27.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 166.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -72.36 146.54 47.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 120.133 1.333 . . . . 0.0 108.356 170.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.3 tt -53.96 -38.44 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 118.453 -0.784 . . . . 0.0 113.055 -176.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.9 m -69.41 -1.06 7.41 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 176.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -119.5 0.88 11.13 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.453 1.901 . . . . 0.0 110.167 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.4 t -77.26 -36.15 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 120.353 -1.467 . . . . 0.0 110.958 170.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.8 ' HG1' ' HD1' ' A' ' 51' ' ' HIS . 51.6 m -154.52 159.37 40.91 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.514 2.326 . . . . 0.0 105.178 172.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -60.63 -16.98 44.21 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -170.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.88 -32.23 0.18 Allowed Glycine 0 CA--C 1.524 0.621 0 CA-C-N 119.059 0.845 . . . . 0.0 112.059 170.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -75.42 34.12 0.11 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.737 1.615 . . . . 0.0 113.596 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.2 t -57.11 111.88 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 O-C-N 120.947 -1.095 . . . . 0.0 108.759 167.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -60.06 -53.83 53.15 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 170.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -160.31 144.37 14.15 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 167.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.9 tt -54.63 -33.32 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 O-C-N 121.23 -0.919 . . . . 0.0 111.772 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -73.15 -8.49 55.99 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 124.482 1.113 . . . . 0.0 112.901 178.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -98.3 -35.46 10.32 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.251 0.932 . . . . 0.0 110.472 169.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.8 ' HD1' ' HG1' ' A' ' 41' ' ' THR . 21.1 m-70 -83.15 -14.05 54.32 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.384 -0.822 . . . . 0.0 113.063 -177.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt -147.17 170.69 16.68 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.422 2.289 . . . . 0.0 108.823 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -141.22 133.57 28.19 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.072 1.349 . . . . 0.0 108.364 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.69 149.67 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 O-C-N 121.746 -0.596 . . . . 0.0 109.873 168.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.3 33.06 83.88 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-O 119.2 -0.778 . . . . 0.0 111.704 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -124.87 161.49 26.45 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 123.978 0.911 . . . . 0.0 108.551 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -102.81 133.5 47.77 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.632 1.173 . . . . 0.0 108.722 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.6 m -143.02 142.83 25.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 C-N-CA 124.366 1.066 . . . . 0.0 109.114 -170.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -79.63 135.4 36.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 167.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.2 m -126.18 147.66 30.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 125.989 1.715 . . . . 0.0 109.244 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -99.16 130.98 45.51 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 167.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.59 117.4 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 170.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.0 tp -98.16 -35.65 10.31 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.558 0.743 . . . . 0.0 111.188 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.26 164.15 38.0 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.2 1.4 . . . . 0.0 108.903 173.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.9 t -134.0 142.0 42.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 174.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -135.04 82.65 1.97 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 175.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -64.81 -28.16 69.38 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.045 0.938 . . . . 0.0 111.909 -175.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -68.03 -42.01 81.25 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.396 0.544 . . . . 0.0 110.276 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -73.51 -24.14 60.12 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 118.499 -0.762 . . . . 0.0 111.664 171.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.7 43.4 67.66 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -169.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -133.25 162.36 31.99 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.988 1.315 . . . . 0.0 110.24 -177.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.8 mt -138.72 130.45 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 m -90.08 143.61 26.62 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 168.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.2 mt -129.49 163.82 25.08 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 123.696 0.798 . . . . 0.0 109.302 -169.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.1 t -131.21 145.98 52.14 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.1 mm -121.4 -23.89 2.89 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 C-N-CA 126.417 1.887 . . . . 0.0 109.542 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -56.46 -30.63 63.13 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 121.595 1.998 . . . . 0.0 111.745 169.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.83 -24.7 67.9 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 172.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.6 p -125.8 2.17 7.42 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.196 1.399 . . . . 0.0 112.56 -168.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -57.99 163.31 2.82 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 125.844 1.658 . . . . 0.0 112.118 -176.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -135.75 -59.03 0.76 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 114.493 -1.23 . . . . 0.0 109.591 168.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -165.16 153.23 10.26 Favored Pre-proline 0 CA--C 1.536 0.407 0 C-N-CA 125.436 1.494 . . . . 0.0 109.39 175.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.2 177.88 4.76 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 122.591 2.194 . . . . 0.0 110.847 168.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -128.35 143.47 51.01 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 125.011 1.325 . . . . 0.0 108.395 172.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -70.58 115.0 9.25 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -132.15 35.51 3.7 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.303 1.441 . . . . 0.0 108.449 -171.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -58.78 -32.99 69.81 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.711 1.205 . . . . 0.0 111.933 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.567 ' HG ' ' HZ2' ' A' ' 92' ' ' LYS . 5.1 p -151.42 166.37 31.28 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.145 1.378 . . . . 0.0 109.904 178.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.05 148.88 91.84 Favored Pre-proline 0 CA--C 1.536 0.429 0 O-C-N 121.648 -0.657 . . . . 0.0 110.769 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -67.16 158.7 55.64 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.414 2.076 . . . . 0.0 110.496 170.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 50.98 28.86 4.07 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.128 1.371 . . . . 0.0 112.96 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.567 ' HZ2' ' HG ' ' A' ' 88' ' ' SER . 64.3 pttt -58.05 153.05 36.66 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.597 168.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.45 152.38 82.1 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 121.951 1.768 . . . . 0.0 109.871 169.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -63.92 128.4 35.66 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 173.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -157.67 154.39 28.27 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 125.554 1.542 . . . . 0.0 108.416 174.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.17 144.64 57.07 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.844 0.354 . . . . 0.0 110.219 168.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -156.36 178.17 10.62 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 125.189 1.396 . . . . 0.0 109.759 172.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.85 74.93 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 m -55.87 156.72 4.91 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.041 1.336 . . . . 0.0 112.21 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.8 132.64 52.86 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 168.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -86.44 -11.94 50.43 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.228 0.611 . . . . 0.0 111.636 -174.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.64 41.83 0.27 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.841 1.656 . . . . 0.0 112.604 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.5 m -59.54 -51.87 68.02 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 124.198 0.999 . . . . 0.0 111.392 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.5 m -53.62 -53.62 55.1 Favored Pre-proline 0 CA--C 1.537 0.455 0 CA-C-O 116.605 -1.664 . . . . 0.0 114.049 -174.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.33 -1.79 6.08 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 CA-C-N 122.366 1.881 . . . . 0.0 114.24 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -127.49 13.09 7.02 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.288 1.835 . . . . 0.0 110.69 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 171.08 63.72 0.04 OUTLIER Glycine 0 C--N 1.337 0.6 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 -168.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -60.03 -10.27 4.04 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.155 1.382 . . . . 0.0 114.665 -169.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -52.84 -25.63 12.1 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 174.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.8 p -56.24 -34.38 66.3 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.789 0.836 . . . . 0.0 113.085 172.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 25.4 tp -81.18 55.42 2.53 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.531 1.532 . . . . 0.0 110.737 -177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -58.72 146.89 35.0 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.267 0.627 . . . . 0.0 109.553 174.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -156.71 151.07 25.35 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.971 1.308 . . . . 0.0 108.474 177.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -150.56 151.95 33.39 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.701 1.201 . . . . 0.0 108.576 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 51.7 tp -146.32 153.23 40.3 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 125.393 1.477 . . . . 0.0 107.52 170.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -66.92 -11.92 57.81 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -148.56 161.15 42.25 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 125.946 1.698 . . . . 0.0 107.194 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -128.64 9.82 6.01 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.206 1.003 . . . . 0.0 111.947 -168.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.9 tt -56.28 149.02 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 123.914 0.886 . . . . 0.0 110.166 169.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.5 -28.82 67.38 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.771 0.828 . . . . 0.0 111.878 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 64.9 mtt -69.98 -6.29 32.25 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 117.993 -1.003 . . . . 0.0 113.654 175.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.8 m 53.56 31.94 13.36 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.031 1.332 . . . . 0.0 111.924 -171.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 55.6 t30 49.85 22.74 0.89 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 127.104 2.162 . . . . 0.0 113.927 -173.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.8 mtp-105 -60.98 -31.29 70.88 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 120.008 -1.682 . . . . 0.0 112.202 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -64.45 -27.13 68.78 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 117.728 -1.13 . . . . 0.0 112.767 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.6 t70 21.08 -87.64 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 129.121 2.968 . . . . 0.0 114.991 -170.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 28.4 tp -145.44 50.04 1.23 Allowed 'General case' 0 C--O 1.234 0.288 0 C-N-CA 125.463 1.505 . . . . 0.0 108.775 174.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.3 tp -53.7 145.87 3.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 C-N-CA 124.235 1.014 . . . . 0.0 111.002 174.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -141.19 160.72 39.5 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.631 1.572 . . . . 0.0 108.631 175.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm . . . . . 0 C--O 1.252 1.199 0 CA-C-O 116.667 -1.635 . . . . 0.0 109.794 171.047 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.3 ttp . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.57 159.36 44.38 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 124.982 1.313 . . . . 0.0 108.924 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.43 149.57 38.11 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.696 0.799 . . . . 0.0 110.469 173.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -64.91 -29.73 70.68 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 174.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -75.04 142.59 43.74 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.982 0.913 . . . . 0.0 109.727 -174.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -144.53 153.02 41.4 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 126.174 1.79 . . . . 0.0 106.875 175.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.5 m -53.94 125.19 7.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.703 0.763 . . . . 0.0 110.436 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.33 -14.98 59.32 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-O 118.281 -1.288 . . . . 0.0 112.895 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.0 p -62.06 156.83 20.34 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.494 1.647 . . . . 0.0 110.023 171.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.27 127.61 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -142.07 -170.01 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.217 1.407 . . . . 0.0 109.153 -174.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -124.3 148.58 47.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.15 -176.08 26.95 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -127.08 136.13 51.73 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 117.571 0.685 . . . . 0.0 109.521 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 t -71.78 126.01 31.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 -173.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -113.04 -8.95 13.61 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 124.853 1.261 . . . . 0.0 112.575 -173.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.34 160.83 33.75 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 169.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.9 mt -134.96 145.41 48.13 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 175.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -154.57 158.44 39.79 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 125.266 1.426 . . . . 0.0 108.229 -172.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.19 -3.88 1.49 Allowed 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -128.53 -1.26 5.54 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.419 1.088 . . . . 0.0 113.205 177.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.89 174.88 38.48 Favored Glycine 0 C--N 1.34 0.798 0 CA-C-N 120.784 1.629 . . . . 0.0 114.275 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.05 122.81 35.42 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.844 1.658 . . . . 0.0 107.872 -176.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -78.04 139.35 39.1 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 t -134.75 114.27 17.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.38 144.11 44.54 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 172.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.1 mt -117.23 -26.98 6.58 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.504 1.521 . . . . 0.0 110.373 -170.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -161.45 162.36 30.49 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 128.002 2.521 . . . . 0.0 105.768 -175.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -57.93 -16.38 11.97 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.462 1.105 . . . . 0.0 113.558 -173.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -131.71 13.16 4.9 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.26 1.424 . . . . 0.0 111.335 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.7 m -139.73 135.53 33.24 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.412 1.005 . . . . 0.0 109.721 -173.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -149.69 157.49 43.28 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 125.321 1.448 . . . . 0.0 108.064 -175.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.65 179.7 18.54 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.321 -1.112 . . . . 0.0 110.321 170.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.4 tp -130.15 120.04 23.94 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.447 1.099 . . . . 0.0 108.519 -172.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.5 t -81.19 124.18 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 104.359 -2.46 . . . . 0.0 104.359 168.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -77.99 144.66 36.53 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 170.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.9 tt -53.01 -33.8 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -176.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -57.71 -23.01 49.6 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.375 1.47 . . . . 0.0 112.842 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -115.97 11.5 15.44 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.504 1.522 . . . . 0.0 110.808 -170.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.7 t -73.97 -25.39 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 124.162 0.985 . . . . 0.0 111.381 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.92 ' HG1' ' HD1' ' A' ' 51' ' ' HIS . 55.0 m -153.89 150.12 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 -176.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -78.99 51.11 1.09 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.724 1.209 . . . . 0.0 109.886 174.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 174.67 -176.39 46.91 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 126.323 1.916 . . . . 0.0 109.064 -173.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -60.99 157.68 14.98 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.927 0.491 . . . . 0.0 110.79 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.4 t -122.74 120.35 60.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -61.86 -51.16 69.36 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -177.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -160.4 149.95 17.59 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 128.746 2.818 . . . . 0.0 103.393 169.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.0 tt -59.15 -33.66 51.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 119.51 1.05 . . . . 0.0 111.233 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -71.48 -11.9 61.11 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.429 1.092 . . . . 0.0 111.622 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -91.6 -8.47 47.23 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.02 0.928 . . . . 0.0 111.14 173.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.92 ' HD1' ' HG1' ' A' ' 41' ' ' THR . 17.7 m-70 -125.44 -13.73 6.54 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.007 1.323 . . . . 0.0 112.582 -172.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt -146.2 175.82 10.21 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 127.169 2.188 . . . . 0.0 108.244 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.606 ' HG ' ' H ' ' A' ' 91' ' ' ARG . 63.0 m -150.14 132.94 15.98 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 123.804 0.842 . . . . 0.0 109.186 178.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.02 148.03 12.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 172.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.49 28.27 72.57 Favored Glycine 0 CA--C 1.526 0.737 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.182 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -125.43 163.13 23.29 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -100.37 137.67 38.48 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.765 1.226 . . . . 0.0 108.087 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.4 m -144.62 145.96 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 124.188 0.995 . . . . 0.0 109.421 -174.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -82.17 139.22 34.45 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 169.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.99 135.93 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 125.503 1.521 . . . . 0.0 109.138 -174.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -97.33 132.07 43.42 Favored 'General case' 0 N--CA 1.46 0.051 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 171.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.0 t -75.22 126.28 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 124.488 1.115 . . . . 0.0 108.576 174.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -116.54 -21.26 9.26 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.407 1.083 . . . . 0.0 112.688 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.35 155.71 39.24 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.441 1.019 . . . . 0.0 108.778 169.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.4 t -139.01 139.8 39.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 170.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -142.65 99.42 3.48 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 171.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -77.54 -12.63 59.98 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.93 0.492 . . . . 0.0 112.051 -174.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -78.91 -44.99 21.49 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 175.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -69.39 -26.25 64.56 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.698 0.799 . . . . 0.0 111.003 170.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.57 46.11 56.46 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -172.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -132.23 157.0 45.47 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 124.821 1.249 . . . . 0.0 109.99 -173.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 58.5 mt -141.15 134.3 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 104.936 -2.246 . . . . 0.0 104.936 177.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 m -101.45 139.24 37.39 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 169.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.6 mt -126.21 168.8 13.57 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 124.834 1.254 . . . . 0.0 108.425 -170.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 65.3 m -145.89 150.96 37.08 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 121.63 -0.668 . . . . 0.0 109.355 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.7 mm -117.18 -18.27 7.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 C-N-CA 125.386 1.475 . . . . 0.0 109.364 177.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -52.74 -31.2 36.79 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 119.593 -1.942 . . . . 0.0 112.007 169.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.46 -24.75 62.06 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.263 1.425 . . . . 0.0 113.143 176.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.4 p -119.42 -7.36 10.2 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.667 1.187 . . . . 0.0 113.483 -169.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -58.22 -27.83 64.3 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.695 1.134 . . . . 0.0 111.33 172.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.81 121.29 16.97 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.363 0.665 . . . . 0.0 109.6 175.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 31.45 67.05 0.91 Allowed Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 127.419 2.288 . . . . 0.0 114.506 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -55.19 154.1 24.32 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.154 2.569 . . . . 0.0 112.559 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -73.24 -11.46 60.52 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.494 1.118 . . . . 0.0 111.417 171.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -55.69 148.18 16.84 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.978 1.311 . . . . 0.0 110.995 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -62.65 -29.28 70.51 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.997 0.519 . . . . 0.0 111.203 173.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -139.79 116.1 10.55 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 171.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.9 m -61.44 -36.47 80.46 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 125.428 1.491 . . . . 0.0 111.88 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -66.17 151.18 96.01 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 118.417 0.553 . . . . 0.0 109.872 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -70.57 162.31 42.93 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.667 2.911 . . . . 0.0 112.667 176.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.606 ' H ' ' HG ' ' A' ' 53' ' ' SER . 0.0 OUTLIER -66.54 -32.26 73.49 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.778 0.831 . . . . 0.0 110.056 169.526 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 85.3 mttt 64.86 80.93 0.23 Allowed Pre-proline 0 N--CA 1.469 0.494 0 C-N-CA 127.799 2.44 . . . . 0.0 112.637 -174.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -49.05 144.67 15.44 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.798 2.332 . . . . 0.0 111.783 170.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 58.62 4.2 0.35 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.274 1.83 . . . . 0.0 114.716 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -150.39 41.88 0.81 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.938 1.695 . . . . 0.0 108.141 177.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.66 127.71 14.02 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.663 1.185 . . . . 0.0 112.049 -169.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -68.66 177.2 2.59 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.492 170.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 29.8 m -55.01 157.29 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.162 0.985 . . . . 0.0 111.729 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.0 m -55.65 155.09 6.0 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.178 1.391 . . . . 0.0 112.375 -176.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -139.24 164.57 29.47 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.592 1.557 . . . . 0.0 108.154 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -65.96 -29.23 69.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.272 0.629 . . . . 0.0 111.428 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.3 114.15 1.68 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.394 1.078 . . . . 0.0 110.448 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.7 m -137.79 11.26 2.9 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.067 1.347 . . . . 0.0 111.192 -174.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.7 m -60.28 147.19 82.23 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 126.284 1.834 . . . . 0.0 110.679 -174.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -51.32 -16.19 2.96 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 124.377 3.384 . . . . 0.0 115.302 169.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -46.5 -37.14 7.44 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.811 1.245 . . . . 0.0 111.541 169.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -56.71 -38.8 84.53 Favored Glycine 0 CA--C 1.534 1.223 0 CA-C-N 118.754 0.706 . . . . 0.0 112.571 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -76.92 -50.38 13.42 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.791 0.795 . . . . 0.0 109.729 172.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -60.63 -19.53 58.31 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -172.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.2 m -56.23 -21.37 22.99 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.232 1.413 . . . . 0.0 112.644 171.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -52.28 129.37 27.95 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.286 1.403 . . . . 0.0 111.169 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -87.42 -14.2 41.2 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.561 0.744 . . . . 0.0 111.955 -169.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -151.19 158.25 43.71 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.597 1.159 . . . . 0.0 108.545 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -57.82 137.68 56.37 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 53.46 26.55 5.6 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.132 1.373 . . . . 0.0 113.18 177.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.14 141.68 45.33 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.432 -0.793 . . . . 0.0 110.148 178.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 49.3 30.12 3.04 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.746 1.218 . . . . 0.0 112.286 -172.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 43.9 m95 55.85 26.64 9.9 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.296 1.838 . . . . 0.0 113.089 -178.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 11.1 tp -58.92 128.12 19.17 Favored 'Isoleucine or valine' 0 C--N 1.343 0.305 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -77.19 91.55 3.75 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 83.6 mtp -57.58 -24.24 55.16 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.538 0.735 . . . . 0.0 112.063 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.8 m -61.68 -21.28 64.3 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.299 0.954 . . . . 0.0 112.152 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -63.36 -43.58 97.26 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 119.27 0.941 . . . . 0.0 110.995 170.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -65.66 -34.99 79.5 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.694 -0.628 . . . . 0.0 110.498 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -69.33 -5.97 26.72 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 118.146 -0.931 . . . . 0.0 112.576 173.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 26.3 t0 49.34 47.33 22.44 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.096 1.358 . . . . 0.0 110.98 -169.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 33.9 tp -135.79 55.69 1.86 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.15 1.78 . . . . 0.0 107.615 -172.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 20.5 tt -138.8 149.66 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 124.981 1.312 . . . . 0.0 108.779 -172.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -152.35 156.23 39.16 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.594 1.558 . . . . 0.0 107.394 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.3 tttt . . . . . 0 C--O 1.243 0.725 0 CA-C-O 118.327 -0.844 . . . . 0.0 109.161 174.207 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 N--CA 1.462 0.173 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 m -51.47 137.93 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 125.539 1.536 . . . . 0.0 111.421 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.15 -14.2 59.68 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-O 118.131 -1.372 . . . . 0.0 113.458 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.4 m -66.28 166.32 12.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 119.066 1.433 . . . . 0.0 110.984 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.0 t -139.15 127.9 28.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -145.12 172.72 12.69 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 124.823 1.249 . . . . 0.0 109.9 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 m -119.51 143.72 47.41 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 123.691 0.796 . . . . 0.0 109.02 -174.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.24 -172.97 24.23 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 125.131 1.348 . . . . 0.0 110.41 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -127.58 137.27 52.54 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 117.839 0.819 . . . . 0.0 110.523 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.3 t -71.16 124.86 28.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -175.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -108.3 -10.92 15.29 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.538 1.535 . . . . 0.0 112.682 -176.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -172.46 166.85 39.66 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 119.681 1.128 . . . . 0.0 111.066 171.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.4 mt -131.87 146.94 52.42 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.862 1.265 . . . . 0.0 108.07 172.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -146.29 159.72 42.96 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 126.26 1.824 . . . . 0.0 108.011 -176.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.43 -6.87 3.68 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -120.21 -6.19 9.91 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.357 1.463 . . . . 0.0 113.774 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.55 -175.29 41.29 Favored Glycine 0 CA--C 1.523 0.568 0 CA-C-N 119.895 1.225 . . . . 0.0 113.282 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.71 129.04 50.48 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 125.25 1.42 . . . . 0.0 108.447 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -78.53 139.81 38.61 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.7 t -135.64 126.05 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.57 125.7 29.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 166.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--N 1.33 -0.28 0 C-N-CA 123.587 0.755 . . . . 0.0 111.128 176.851 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.2 mt . . . . . 0 N--CA 1.465 0.294 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.7 m -140.53 128.94 22.59 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.014 1.326 . . . . 0.0 108.251 -176.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.3 p -64.34 149.06 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 O-C-N 121.244 -0.91 . . . . 0.0 109.98 168.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.53 33.29 80.96 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.293 -0.726 . . . . 0.0 111.84 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -126.47 159.79 32.35 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.928 0.891 . . . . 0.0 108.672 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -93.41 138.38 31.78 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.492 1.117 . . . . 0.0 109.354 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.8 m -143.75 148.36 18.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 124.943 1.297 . . . . 0.0 108.515 -173.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -102.47 129.96 49.14 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 171.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.7 m -124.06 147.64 28.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 126.293 1.837 . . . . 0.0 109.758 -169.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -97.14 131.54 43.8 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 168.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.3 t -67.5 117.42 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 125.093 1.357 . . . . 0.0 108.461 170.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -93.45 -41.01 10.03 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 122.63 0.372 . . . . 0.0 111.217 173.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.01 151.64 25.58 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.319 1.447 . . . . 0.0 108.166 -174.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.2 t . . . . . 0 C--N 1.328 -0.363 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.62 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 17.9 mt . . . . . 0 N--CA 1.457 -0.089 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.5 m -85.1 136.39 33.58 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 166.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.3 mt -128.27 164.4 22.66 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.617 0.767 . . . . 0.0 110.54 -168.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.4 t -133.14 153.37 51.59 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.712 1.205 . . . . 0.0 109.829 171.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.9 mm -124.4 -29.75 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 127.735 2.414 . . . . 0.0 109.93 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -57.99 -35.94 71.92 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 120.185 1.357 . . . . 0.0 110.847 169.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 C-N-CA 122.879 0.472 . . . . 0.0 111.393 174.864 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 CA--C 1.53 0.194 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 32.8 m -55.52 141.69 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 124.379 1.072 . . . . 0.0 111.718 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.62 -16.01 43.21 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 118.251 -1.305 . . . . 0.0 113.166 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -65.86 165.81 12.32 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.747 1.273 . . . . 0.0 110.546 171.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -146.49 129.67 9.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -142.12 -171.77 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.102 1.361 . . . . 0.0 109.154 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 m -117.9 150.69 38.79 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.32 -178.98 30.1 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 124.587 1.089 . . . . 0.0 110.587 -177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.61 124.04 32.76 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -172.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.4 t -66.57 127.95 28.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 C-N-CA 124.005 0.922 . . . . 0.0 108.542 -174.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.36 -11.05 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.813 1.645 . . . . 0.0 112.596 -171.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.94 167.59 38.48 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 119.62 1.1 . . . . 0.0 110.899 169.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.9 mt -125.71 150.51 47.61 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 124.829 1.252 . . . . 0.0 107.972 173.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -145.87 161.63 39.57 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 126.096 1.759 . . . . 0.0 107.721 178.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.39 -4.97 3.05 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -131.51 6.06 4.4 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.907 1.283 . . . . 0.0 113.973 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.25 179.4 38.41 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 119.496 1.044 . . . . 0.0 112.842 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.73 135.09 49.68 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.729 1.212 . . . . 0.0 109.626 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -80.28 141.28 35.66 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 174.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 t -136.54 112.83 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 175.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.55 144.84 55.42 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 169.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 C--N 1.328 -0.331 0 C-N-CA 124.399 1.08 . . . . 0.0 110.553 -169.775 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.432 ' HG ' ' H ' ' A' ' 53' ' ' SER . 4.7 tp . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.432 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 46.6 m -149.41 128.29 12.58 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.159 0.984 . . . . 0.0 108.442 -172.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.0 p -62.81 148.5 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 O-C-N 120.962 -1.086 . . . . 0.0 109.88 166.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.56 33.1 64.02 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 118.841 -0.977 . . . . 0.0 112.0 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -126.72 163.43 23.55 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 123.862 0.865 . . . . 0.0 108.764 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -111.38 124.42 52.21 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.205 1.402 . . . . 0.0 107.664 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.6 m -137.3 146.41 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 124.348 1.059 . . . . 0.0 109.467 -168.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -83.63 137.38 33.83 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 170.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.9 129.63 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 125.999 1.719 . . . . 0.0 108.109 -169.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -87.73 133.64 33.81 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 170.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.7 t -68.34 115.79 7.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 170.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.6 tp -95.72 -38.52 10.31 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 123.446 0.698 . . . . 0.0 111.282 -177.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.57 159.12 42.09 Favored 'General case' 0 N--CA 1.461 0.107 0 C-N-CA 124.27 1.028 . . . . 0.0 108.982 177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.2 t . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 106.236 -1.765 . . . . 0.0 106.236 173.368 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 C--O 1.232 0.136 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 m -109.47 150.06 28.67 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 168.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.4 mt -132.23 167.81 19.17 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.001 0.921 . . . . 0.0 108.956 -170.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.3 p -136.93 146.46 45.48 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.441 0.697 . . . . 0.0 109.701 169.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.1 mm -115.32 -23.3 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 126.892 2.077 . . . . 0.0 109.192 174.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -58.01 -26.63 62.65 Favored 'General case' 0 CA--C 1.52 -0.208 0 O-C-N 120.573 -1.329 . . . . 0.0 112.944 170.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 173.112 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.9 mp0 . . . . . 0 CA--C 1.536 0.434 0 CA-C-O 121.221 0.534 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -49.52 136.43 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 124.792 1.237 . . . . 0.0 111.149 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.81 -11.41 64.53 Favored Glycine 0 CA--C 1.533 1.208 0 CA-C-O 118.474 -1.181 . . . . 0.0 113.658 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.6 m -65.79 161.37 21.05 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.109 1.454 . . . . 0.0 110.075 171.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.9 t -128.44 127.85 67.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 172.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -137.14 178.31 7.19 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.871 1.668 . . . . 0.0 109.335 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -128.44 141.78 51.29 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.95 -176.67 27.44 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 124.354 0.978 . . . . 0.0 110.942 -173.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.96 125.51 39.64 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -171.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 t -67.19 128.61 30.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.4 -11.96 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.647 1.579 . . . . 0.0 112.847 -172.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.29 167.63 39.34 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 119.381 0.991 . . . . 0.0 110.983 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.6 mt -130.06 148.24 51.89 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 125.131 1.373 . . . . 0.0 107.596 175.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -145.81 160.96 41.02 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.443 1.897 . . . . 0.0 107.043 -177.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.14 -5.97 2.68 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 175.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -124.54 -0.63 8.1 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.65 1.18 . . . . 0.0 112.969 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.93 -179.85 37.03 Favored Glycine 0 CA--C 1.526 0.731 0 CA-C-N 120.048 1.295 . . . . 0.0 114.467 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.48 126.23 48.76 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.17 1.788 . . . . 0.0 108.638 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -77.03 141.59 40.25 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 173.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.5 t -136.83 114.97 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.27 148.88 37.27 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.8 mt . . . . . 0 C--N 1.327 -0.389 0 C-N-CA 124.711 1.204 . . . . 0.0 111.105 -171.366 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.432 ' HG ' ' H ' ' A' ' 53' ' ' SER . 5.2 tp . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.432 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 31.4 m -143.9 135.9 26.46 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.141 0.977 . . . . 0.0 108.893 -178.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.4 p -69.98 154.49 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 168.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.02 32.81 77.63 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-O 119.193 -0.782 . . . . 0.0 111.65 175.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -129.1 161.82 29.15 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -100.65 135.19 42.47 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.68 1.192 . . . . 0.0 107.804 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.9 m -142.44 145.63 23.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 C-N-CA 124.519 1.128 . . . . 0.0 108.877 -171.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -89.14 136.08 33.21 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 168.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.3 m -126.46 145.02 34.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 125.869 1.668 . . . . 0.0 109.495 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -101.08 132.61 46.45 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 168.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 t -67.56 131.06 33.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 172.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -112.25 -38.07 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.602 1.161 . . . . 0.0 111.302 -174.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.78 163.0 38.51 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.235 1.014 . . . . 0.0 109.4 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--N 1.326 -0.438 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 171.039 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 52.7 mt . . . . . 0 CA--C 1.519 -0.223 0 N-CA-C 104.647 -2.353 . . . . 0.0 104.647 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 m -88.82 142.63 27.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 174.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -128.27 170.52 12.94 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.969 1.308 . . . . 0.0 108.362 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.8 p -144.16 151.01 38.95 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 124.137 0.975 . . . . 0.0 109.807 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.2 mm -123.87 -29.66 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 126.189 1.796 . . . . 0.0 109.801 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -56.33 -29.83 61.8 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.465 1.484 . . . . 0.0 111.906 171.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.376 0 C-N-CA 123.872 0.869 . . . . 0.0 111.284 170.561 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 121.369 0.604 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -52.91 130.67 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 124.891 1.276 . . . . 0.0 109.985 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.6 -16.64 60.19 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-O 118.469 -1.184 . . . . 0.0 112.89 178.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 m -64.36 160.24 19.39 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.56 1.18 . . . . 0.0 110.297 172.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.5 t -122.93 139.02 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 169.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -141.33 -170.65 3.12 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.913 1.685 . . . . 0.0 107.637 -174.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.0 m -133.94 151.36 51.45 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 175.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.14 -179.86 32.39 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 174.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.44 122.72 40.4 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.7 t -65.85 125.47 23.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 C-N-CA 124.383 1.073 . . . . 0.0 108.785 -174.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -110.44 -14.35 14.12 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 125.255 1.422 . . . . 0.0 112.911 -171.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.35 171.51 44.62 Favored Glycine 0 C--N 1.333 0.392 0 CA-C-N 119.779 1.172 . . . . 0.0 111.153 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.6 mt -132.37 152.99 51.22 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 124.922 1.289 . . . . 0.0 108.621 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -145.75 160.21 42.07 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 127.167 2.187 . . . . 0.0 106.911 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.71 -5.85 4.73 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -129.85 7.09 5.14 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.01 1.324 . . . . 0.0 113.966 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.62 178.28 39.62 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-N 119.982 1.265 . . . . 0.0 114.331 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.41 128.56 48.31 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 125.532 1.533 . . . . 0.0 109.373 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -76.44 144.01 40.2 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 173.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.3 t -138.95 122.72 19.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.05 117.19 17.5 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 167.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.2 mt . . . . . 0 C--O 1.222 -0.352 0 C-N-CA 123.189 0.596 . . . . 0.0 110.15 -179.127 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.9 m -141.14 130.99 24.33 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.267 1.027 . . . . 0.0 108.578 -177.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.4 p -67.94 152.91 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 O-C-N 121.305 -0.872 . . . . 0.0 109.997 166.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.09 32.24 72.77 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 119.033 -0.87 . . . . 0.0 111.798 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -129.59 161.71 29.92 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -106.76 135.26 48.6 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 124.661 1.184 . . . . 0.0 109.043 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.7 m -144.89 141.47 23.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 124.427 1.091 . . . . 0.0 109.876 -168.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -76.11 136.43 39.84 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 166.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.67 135.17 51.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 125.21 1.404 . . . . 0.0 109.406 -173.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -84.98 136.41 33.61 Favored 'General case' 0 CA--C 1.523 -0.076 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 169.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 t -71.68 115.31 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.4 tp -100.13 -30.36 11.98 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.865 1.266 . . . . 0.0 111.527 -173.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.26 163.53 33.37 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.687 1.595 . . . . 0.0 108.484 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 170.982 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--O 1.233 0.217 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 m -101.57 149.45 24.09 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 167.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.6 mt -134.55 166.92 21.76 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.998 0.919 . . . . 0.0 109.782 -169.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.2 t -140.03 150.48 44.45 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 123.781 0.832 . . . . 0.0 109.344 173.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.4 mm -117.92 -32.49 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 C-N-CA 126.836 2.054 . . . . 0.0 109.352 173.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -58.39 -27.32 64.14 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 120.743 1.611 . . . . 0.0 111.738 171.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 172.788 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 t -49.2 128.41 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 125.175 1.39 . . . . 0.0 110.408 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.95 -8.66 79.21 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 117.303 -1.831 . . . . 0.0 113.523 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 m -64.36 164.8 10.68 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.466 1.633 . . . . 0.0 111.074 170.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.1 t -140.04 130.6 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -138.67 179.17 6.63 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.481 1.113 . . . . 0.0 108.966 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.1 m -109.31 149.93 28.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 169.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.32 178.43 29.53 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 124.496 1.046 . . . . 0.0 110.901 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.78 120.69 31.27 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -173.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 t -62.21 120.09 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 123.969 0.908 . . . . 0.0 109.124 -176.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.06 -17.23 19.24 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.576 1.55 . . . . 0.0 112.186 -175.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.18 169.98 41.96 Favored Glycine 0 C--N 1.335 0.496 0 CA-C-N 119.859 1.209 . . . . 0.0 110.786 173.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.2 mt -126.38 149.05 49.47 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.374 1.069 . . . . 0.0 108.452 173.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -143.12 159.53 42.11 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.735 2.014 . . . . 0.0 106.391 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.67 -7.25 6.95 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -122.44 -0.41 9.27 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.788 1.635 . . . . 0.0 113.313 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.18 -179.36 39.1 Favored Glycine 0 C--N 1.339 0.701 0 CA-C-N 119.614 1.097 . . . . 0.0 113.906 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.94 122.94 39.27 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.488 1.515 . . . . 0.0 108.636 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -70.98 139.19 50.49 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 171.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.8 t -139.24 114.4 8.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 177.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.86 146.28 55.11 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.088 0.555 . . . . 0.0 110.952 166.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 C--N 1.331 -0.2 0 C-N-CA 124.031 0.933 . . . . 0.0 110.584 -169.081 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 m -145.71 126.94 14.79 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.2 147.12 7.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 O-C-N 121.02 -1.05 . . . . 0.0 111.091 165.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.65 30.28 68.75 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.063 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -125.68 162.73 24.36 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.113 0.965 . . . . 0.0 108.63 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -108.46 131.71 54.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.952 1.301 . . . . 0.0 109.343 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.2 m -144.89 141.4 23.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 C-N-CA 124.381 1.072 . . . . 0.0 109.106 -168.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -70.3 138.65 51.7 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 163.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -134.78 137.03 51.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 125.877 1.671 . . . . 0.0 108.698 -177.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -92.21 134.03 35.26 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 169.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.55 113.47 2.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 C-N-CA 124.381 1.073 . . . . 0.0 109.9 167.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.1 tp -91.19 -36.06 14.17 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.8 0.84 . . . . 0.0 111.743 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.63 164.77 36.89 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.278 1.431 . . . . 0.0 108.783 172.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 CA--C 1.532 0.283 0 C-N-CA 124.059 0.944 . . . . 0.0 108.81 173.948 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.5 mt . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -76.98 144.7 38.55 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 166.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.8 mt -130.23 167.17 18.87 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 123.828 0.851 . . . . 0.0 110.113 -176.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 61.4 m -134.41 152.66 51.94 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.625 1.17 . . . . 0.0 109.365 173.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.8 mm -122.54 -20.05 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 125.231 1.413 . . . . 0.0 110.642 173.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -53.85 -28.85 38.44 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 119.912 -1.743 . . . . 0.0 112.38 167.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.672 0 CA-C-O 117.752 -1.118 . . . . 0.0 112.268 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--O 1.235 0.303 0 CA-C-O 121.443 0.639 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.7 t -52.6 132.74 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 125.001 1.32 . . . . 0.0 110.758 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.0 -18.31 56.35 Favored Glycine 0 CA--C 1.527 0.817 0 CA-C-O 117.92 -1.489 . . . . 0.0 112.882 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.3 m -64.24 159.03 21.65 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.364 1.582 . . . . 0.0 110.202 169.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.9 t -115.15 140.47 36.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 168.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -143.56 176.98 8.79 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.668 1.587 . . . . 0.0 107.932 -177.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -136.74 146.23 45.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -175.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.04 -172.75 28.78 Favored Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.34 125.52 38.9 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -174.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.5 t -66.15 127.42 27.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 C-N-CA 123.99 0.916 . . . . 0.0 108.748 -174.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -110.09 -12.48 14.51 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 126.11 1.764 . . . . 0.0 112.314 -173.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.79 169.25 41.9 Favored Glycine 0 C--N 1.333 0.387 0 CA-C-N 119.876 1.217 . . . . 0.0 110.848 171.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.7 mt -132.86 148.71 52.3 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 124.995 1.318 . . . . 0.0 107.928 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -146.54 163.58 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 126.594 1.958 . . . . 0.0 107.7 177.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.36 -4.99 2.1 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -127.7 0.75 6.12 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.5 179.53 41.39 Favored Glycine 0 C--N 1.34 0.775 0 CA-C-N 120.241 1.382 . . . . 0.0 114.107 174.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.13 121.09 31.85 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 126.412 1.885 . . . . 0.0 108.505 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -74.56 143.94 44.23 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 t -139.45 115.02 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.66 141.06 48.28 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 165.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.0 mt . . . . . 0 N--CA 1.465 0.28 0 C-N-CA 124.195 0.998 . . . . 0.0 110.205 -171.883 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.9 m -145.91 134.5 22.13 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.534 1.134 . . . . 0.0 108.518 -174.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.8 p -66.74 153.42 8.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 O-C-N 121.034 -1.041 . . . . 0.0 110.209 165.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.82 31.11 75.07 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.101 175.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -127.68 160.34 31.96 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 123.994 0.918 . . . . 0.0 108.551 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -92.32 138.74 31.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.725 1.21 . . . . 0.0 109.26 173.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.3 m -141.71 150.05 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 124.664 1.186 . . . . 0.0 108.752 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -108.18 127.9 54.23 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.0 m -124.14 149.12 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 126.219 1.807 . . . . 0.0 109.904 -168.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -98.17 132.74 43.43 Favored 'General case' 0 C--O 1.227 -0.119 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 164.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.47 138.44 23.1 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 65.7 tp -124.49 -31.58 3.24 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 125.026 1.331 . . . . 0.0 111.44 -172.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.92 158.9 41.4 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 168.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--N 1.33 -0.255 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 168.373 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.0 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.5 m -84.65 147.4 26.97 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 118.587 0.63 . . . . 0.0 109.527 167.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.9 mt -133.6 167.23 20.86 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 125.397 1.479 . . . . 0.0 108.249 -173.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.4 p -144.15 152.61 41.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.413 0.685 . . . . 0.0 110.402 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.3 mm -128.55 -31.53 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 126.083 1.753 . . . . 0.0 109.757 -174.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -56.58 -25.79 53.49 Favored 'General case' 0 C--O 1.223 -0.336 0 O-C-N 120.097 -1.627 . . . . 0.0 112.248 167.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.496 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 173.093 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 CA--C 1.53 0.195 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.8 m -53.72 135.66 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 121.845 0.831 . . . . 0.0 110.909 -177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.16 -10.53 68.37 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-O 118.174 -1.348 . . . . 0.0 113.773 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 m -65.55 165.53 12.08 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 119.198 1.499 . . . . 0.0 110.274 169.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.6 t -141.25 130.94 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -140.75 -174.81 4.08 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.127 1.371 . . . . 0.0 109.595 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.0 m -123.62 147.28 47.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.37 -178.58 31.56 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 -172.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.07 122.29 31.78 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -171.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.03 122.25 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.29 -15.94 14.9 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 125.11 1.364 . . . . 0.0 112.558 -173.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.42 164.95 35.59 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 119.645 1.111 . . . . 0.0 111.081 173.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.8 mt -118.49 143.22 46.87 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 173.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -135.25 158.26 44.82 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 126.196 1.799 . . . . 0.0 107.984 -170.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.31 -1.56 0.78 Allowed 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -139.36 9.03 2.47 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 126.808 2.043 . . . . 0.0 112.364 -173.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.52 -167.49 33.55 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 120.179 1.354 . . . . 0.0 113.55 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.91 134.31 40.53 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 124.647 1.179 . . . . 0.0 109.672 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -79.24 142.29 36.35 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 174.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.95 115.08 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.09 140.89 57.61 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 169.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.6 mt . . . . . 0 C--N 1.327 -0.375 0 C-N-CA 124.819 1.248 . . . . 0.0 110.501 -169.912 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.546 ' HG ' ' H ' ' A' ' 53' ' ' SER . 5.3 tp . . . . . 0 N--CA 1.469 0.505 0 CA-C-O 122.574 1.178 . . . . 0.0 111.965 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.546 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 8.4 m -145.2 165.77 27.38 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 127.707 2.403 . . . . 0.0 106.435 173.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -121.62 152.23 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.778 1.231 . . . . 0.0 109.452 172.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.08 39.0 96.5 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -174.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -137.58 163.08 32.08 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.271 1.028 . . . . 0.0 108.761 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -93.03 139.48 30.49 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 124.487 1.115 . . . . 0.0 109.299 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.0 m -143.23 146.79 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 125.893 1.677 . . . . 0.0 109.03 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -88.48 137.63 32.15 Favored 'General case' 0 C--N 1.335 -0.061 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 167.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -133.49 133.12 57.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 125.658 1.583 . . . . 0.0 108.847 -169.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.06 137.48 32.31 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 169.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.52 112.28 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 169.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.4 tp -87.96 -40.06 14.22 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 123.952 0.901 . . . . 0.0 110.809 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.3 164.35 38.43 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.122 1.369 . . . . 0.0 109.495 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.473 0.72 0 C-N-CA 125.278 1.431 . . . . 0.0 108.099 168.614 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 82.3 mt . . . . . 0 N--CA 1.465 0.277 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.8 m -108.97 149.83 28.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 168.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.5 mt -131.94 168.89 17.11 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.068 0.947 . . . . 0.0 109.657 -168.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 p -142.22 152.1 42.76 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.168 0.987 . . . . 0.0 110.093 172.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 23.5 mm -123.68 -32.38 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.348 1.859 . . . . 0.0 109.886 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -55.57 -25.75 39.75 Favored 'General case' 0 C--O 1.223 -0.334 0 O-C-N 120.466 -1.396 . . . . 0.0 112.414 169.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.475 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 174.184 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.0 m -45.38 132.36 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 124.488 1.115 . . . . 0.0 112.102 172.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.8 -13.4 64.46 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-O 117.61 -1.661 . . . . 0.0 113.797 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 m -65.06 164.18 13.41 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.929 1.364 . . . . 0.0 110.697 171.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.1 t -137.52 128.49 39.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -142.67 175.13 10.04 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.798 1.239 . . . . 0.0 109.592 -178.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -119.08 143.24 47.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.972 0.909 . . . . 0.0 108.552 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.57 -175.42 24.1 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 124.778 1.18 . . . . 0.0 110.628 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -124.95 135.68 53.05 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 124.138 0.975 . . . . 0.0 109.906 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 t -73.5 126.08 33.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -175.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -118.52 -7.82 10.56 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 125.045 1.338 . . . . 0.0 112.012 -168.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.47 167.94 40.74 Favored Glycine 0 C--N 1.333 0.404 0 CA-C-N 119.502 1.046 . . . . 0.0 110.574 170.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -137.05 148.21 46.65 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 124.659 1.183 . . . . 0.0 107.814 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -149.11 155.6 40.94 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 127.379 2.271 . . . . 0.0 106.324 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.95 2.01 0.81 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 172.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -125.33 0.31 7.7 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.406 1.482 . . . . 0.0 113.9 173.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.24 177.97 38.65 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-N 120.27 1.395 . . . . 0.0 114.486 173.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.62 118.31 27.86 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 126.353 1.861 . . . . 0.0 107.863 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -71.15 139.66 50.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 173.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.1 t -136.16 111.54 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.16 131.7 46.32 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.289 0.636 . . . . 0.0 109.32 168.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--O 1.219 -0.548 0 C-N-CA 124.454 1.102 . . . . 0.0 110.688 -168.077 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 tp . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.0 m -146.96 133.48 19.77 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -174.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.49 152.76 9.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 O-C-N 121.278 -0.888 . . . . 0.0 110.617 169.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.94 31.67 81.69 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-O 119.257 -0.746 . . . . 0.0 112.003 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -125.12 160.21 29.64 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -98.0 135.25 39.98 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 124.543 1.137 . . . . 0.0 109.302 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.4 m -142.46 147.0 21.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 124.519 1.127 . . . . 0.0 108.57 -173.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.435 ' NE2' ' H ' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -98.54 132.51 43.9 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.55 0.74 . . . . 0.0 109.439 169.472 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 m -129.0 147.4 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 126.552 1.941 . . . . 0.0 109.309 -167.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -99.4 129.23 45.58 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 167.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.95 126.91 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 124.236 1.014 . . . . 0.0 108.753 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.2 tp -112.38 -32.02 6.63 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 124.392 1.077 . . . . 0.0 111.289 -173.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.07 157.72 42.01 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.398 1.079 . . . . 0.0 108.657 171.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 65.4 t . . . . . 0 C--N 1.328 -0.348 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 169.048 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.2 mt . . . . . 0 CA--C 1.529 0.159 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.8 m -98.71 150.66 21.58 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 121.468 -0.77 . . . . 0.0 109.212 167.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.4 mt -135.62 171.03 15.04 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 124.594 1.158 . . . . 0.0 109.143 -170.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.5 p -145.9 151.33 37.69 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.197 0.999 . . . . 0.0 110.106 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 21.6 mm -122.22 -26.65 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 126.411 1.884 . . . . 0.0 110.414 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -55.47 -24.58 31.92 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 120.259 1.39 . . . . 0.0 112.694 167.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 117.82 -1.086 . . . . 0.0 113.795 174.752 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 N--CA 1.464 0.241 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.1 m -48.55 136.07 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 125.173 1.389 . . . . 0.0 111.499 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.95 -9.4 63.24 Favored Glycine 0 CA--C 1.533 1.16 0 CA-C-O 118.089 -1.395 . . . . 0.0 113.626 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 m -65.63 167.07 9.61 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 119.216 1.508 . . . . 0.0 110.339 169.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.7 t -140.11 127.98 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -142.34 170.29 15.99 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 124.227 1.011 . . . . 0.0 109.765 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 m -115.95 144.33 44.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.79 -174.65 25.87 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -173.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -126.9 136.96 53.03 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 123.508 0.723 . . . . 0.0 109.96 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.9 t -73.55 124.22 30.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -172.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -108.75 -9.6 15.22 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.923 1.289 . . . . 0.0 112.534 -173.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.59 165.12 36.34 Favored Glycine 0 C--N 1.334 0.471 0 CA-C-N 119.315 0.961 . . . . 0.0 110.947 169.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.8 mt -122.64 157.41 32.25 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 124.535 1.134 . . . . 0.0 108.064 169.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -147.97 164.51 33.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 126.191 1.796 . . . . 0.0 107.418 -176.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.06 -10.15 9.26 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 175.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -135.34 7.96 3.38 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.985 1.314 . . . . 0.0 113.729 -174.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.5 178.59 42.74 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-N 119.791 1.178 . . . . 0.0 114.068 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.33 119.43 21.71 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 126.166 1.786 . . . . 0.0 108.091 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -75.35 141.4 43.34 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 176.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.6 t -136.81 113.2 12.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.07 141.38 52.81 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--N 1.329 -0.323 0 C-N-CA 124.094 0.957 . . . . 0.0 111.604 -168.05 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.9 m -158.57 127.73 5.59 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.708 0.803 . . . . 0.0 109.128 -174.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 p -63.78 150.17 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 123.31 0.644 . . . . 0.0 110.203 170.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.01 33.51 65.37 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.731 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -130.29 161.29 31.56 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.921 0.888 . . . . 0.0 108.914 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -94.72 137.28 34.02 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.617 1.167 . . . . 0.0 108.964 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.7 m -142.72 151.2 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.946 1.298 . . . . 0.0 108.718 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -103.57 130.46 50.99 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 171.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.91 146.45 32.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 126.338 1.855 . . . . 0.0 109.585 -169.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.74 137.51 33.73 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 167.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.7 t -68.88 113.16 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 170.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.7 tp -85.05 -43.31 14.04 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 124.042 0.937 . . . . 0.0 110.49 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.63 159.48 40.85 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 125.309 1.443 . . . . 0.0 108.838 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 66.5 t . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 173.75 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 N--CA 1.467 0.379 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 m -110.77 150.6 28.87 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 168.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.5 mt -135.08 166.28 23.43 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.25 1.02 . . . . 0.0 109.351 -168.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 p -140.69 152.95 45.74 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.297 1.039 . . . . 0.0 110.255 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.7 mm -128.51 -33.92 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 126.482 1.913 . . . . 0.0 110.03 -173.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -56.82 -27.96 60.8 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 120.258 1.39 . . . . 0.0 111.714 169.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.267 0 C-N-CA 124.362 1.065 . . . . 0.0 112.619 172.395 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 N--CA 1.462 0.144 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.4 m -55.78 140.55 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 122.087 0.946 . . . . 0.0 111.448 -175.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.16 -14.92 57.91 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.987 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -64.49 160.45 19.3 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.721 1.26 . . . . 0.0 110.351 173.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.8 t -136.7 125.18 35.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -142.93 173.47 11.52 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 124.491 1.117 . . . . 0.0 109.475 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.5 m -115.91 144.81 43.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.84 -174.93 24.56 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 124.617 1.103 . . . . 0.0 110.574 -172.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.46 123.99 32.93 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 -170.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.43 125.84 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -176.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -111.74 -10.27 14.06 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 125.174 1.39 . . . . 0.0 112.635 -173.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.01 166.8 37.72 Favored Glycine 0 C--N 1.334 0.458 0 CA-C-N 119.677 1.126 . . . . 0.0 111.427 169.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.0 mt -125.67 146.99 49.49 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.791 1.236 . . . . 0.0 108.298 171.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -143.95 161.22 39.29 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 126.59 1.956 . . . . 0.0 107.562 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.42 -1.28 1.1 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -132.66 2.2 3.74 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.152 1.381 . . . . 0.0 113.528 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.55 175.99 39.08 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-N 120.183 1.356 . . . . 0.0 114.441 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.72 120.18 34.92 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 126.658 1.983 . . . . 0.0 108.201 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -74.29 140.07 44.67 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 174.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.2 t -135.54 113.71 15.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.92 144.17 49.05 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 172.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 C--N 1.327 -0.388 0 C-N-CA 124.68 1.192 . . . . 0.0 110.773 -169.465 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.407 ' HG ' ' H ' ' A' ' 53' ' ' SER . 3.8 tp . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.407 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 55.8 m -149.36 139.55 22.2 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.097 1.359 . . . . 0.0 109.497 -173.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.9 t -72.62 152.34 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 168.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.19 28.86 69.4 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 119.136 -0.813 . . . . 0.0 111.462 174.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -123.39 160.34 27.02 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -99.08 134.59 41.7 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 124.439 1.096 . . . . 0.0 108.045 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.4 m -142.31 148.28 20.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 124.592 1.157 . . . . 0.0 108.425 -173.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -99.63 133.54 43.82 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 173.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.7 m -126.94 147.51 31.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 125.768 1.627 . . . . 0.0 109.494 -169.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -103.94 127.39 51.48 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 168.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.3 t -64.55 126.09 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.9 tp -112.21 -31.56 6.82 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 124.739 1.216 . . . . 0.0 111.328 -172.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.48 157.52 39.96 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.522 1.129 . . . . 0.0 108.712 171.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.1 t . . . . . 0 C--N 1.329 -0.324 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 170.653 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.1 mt . . . . . 0 C--O 1.232 0.179 0 N-CA-C 104.474 -2.417 . . . . 0.0 104.474 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.5 m -109.64 146.27 35.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 171.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -133.07 171.56 13.81 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 124.534 1.133 . . . . 0.0 109.0 -169.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 p -145.66 152.38 39.54 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.812 0.845 . . . . 0.0 110.156 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.0 mm -124.83 -32.13 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 126.353 1.861 . . . . 0.0 109.591 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -58.68 -23.78 60.03 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.879 1.218 . . . . 0.0 112.078 169.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.519 0 C-N-CA 124.104 0.962 . . . . 0.0 113.497 173.417 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 CA--C 1.53 0.207 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.0 t -53.09 129.87 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 124.455 1.102 . . . . 0.0 110.109 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.96 -13.24 67.46 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 117.873 -1.515 . . . . 0.0 113.262 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -65.14 164.68 12.64 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 119.004 1.402 . . . . 0.0 110.648 172.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.7 t -138.28 128.75 35.46 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.072 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -145.51 175.87 10.02 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.318 1.447 . . . . 0.0 109.023 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.1 m -125.42 145.34 50.11 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.87 -179.62 31.96 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -173.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -110.31 135.68 50.67 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 118.861 -0.59 . . . . 0.0 109.607 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.2 t -68.8 128.26 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -118.38 -7.32 10.7 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.056 1.342 . . . . 0.0 112.35 -171.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.68 164.57 34.87 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 119.909 1.231 . . . . 0.0 110.756 168.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt -123.55 149.37 45.34 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 124.844 1.258 . . . . 0.0 108.518 168.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -143.91 161.17 39.39 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 126.997 2.119 . . . . 0.0 107.467 177.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.05 -3.37 1.21 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -132.74 2.87 3.77 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.214 1.406 . . . . 0.0 113.687 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.02 176.07 39.97 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-N 120.042 1.292 . . . . 0.0 114.418 174.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.82 119.87 33.95 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 126.555 1.942 . . . . 0.0 108.486 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -72.34 140.14 48.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 173.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.3 t -133.72 112.93 17.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 173.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.69 147.3 45.82 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.879 0.847 . . . . 0.0 110.172 171.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.4 mt . . . . . 0 C--N 1.33 -0.269 0 C-N-CA 125.42 1.488 . . . . 0.0 110.595 -169.188 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' HG ' ' H ' ' A' ' 53' ' ' SER . 3.5 tp . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.408 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 66.1 m -148.02 134.58 19.78 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 124.763 1.225 . . . . 0.0 109.643 -168.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.4 t -67.48 151.2 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 166.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.92 39.34 93.31 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -125.47 154.39 42.12 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 168.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -92.89 133.39 36.14 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 169.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.2 m -140.02 142.76 31.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -175.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -90.56 133.55 35.0 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 171.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.09 141.2 47.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 126.56 1.944 . . . . 0.0 108.947 -169.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -93.4 132.11 37.95 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 165.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.5 t -64.78 115.04 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 171.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.3 tp -95.9 -32.69 12.52 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 124.456 1.102 . . . . 0.0 111.276 -175.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.92 161.39 38.23 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.74 1.216 . . . . 0.0 109.133 172.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 168.95 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.2 mt . . . . . 0 C--O 1.233 0.21 0 N-CA-C 105.527 -2.027 . . . . 0.0 105.527 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -109.7 149.57 29.56 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 169.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.0 mt -133.53 169.34 17.12 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 124.254 1.022 . . . . 0.0 109.478 -169.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.6 t -139.06 148.72 43.72 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.524 1.129 . . . . 0.0 108.777 175.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.2 mm -122.71 -26.03 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 127.189 2.195 . . . . 0.0 109.155 173.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.94 -29.22 62.96 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 119.291 -2.131 . . . . 0.0 111.108 168.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 117.959 -1.02 . . . . 0.0 113.523 172.265 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 . . . . . 0 N--CA 1.463 0.215 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 m -54.1 138.41 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 122.259 1.028 . . . . 0.0 111.141 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.02 -18.11 49.67 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 117.925 -1.486 . . . . 0.0 112.83 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 m -63.33 165.5 7.51 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.001 1.401 . . . . 0.0 110.751 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.6 t -138.98 127.95 29.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 -178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -140.47 177.82 7.75 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.53 1.132 . . . . 0.0 109.385 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -118.05 145.42 44.82 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.92 -176.28 27.88 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -175.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -127.31 136.12 51.49 Favored 'General case' 0 CA--C 1.512 -0.499 0 C-N-CA 123.675 0.79 . . . . 0.0 109.393 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 t -72.16 125.92 31.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 -175.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -115.81 -8.75 11.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 125.044 1.338 . . . . 0.0 112.557 -171.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -172.34 168.12 41.14 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 119.344 0.974 . . . . 0.0 110.888 170.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.3 mt -132.61 146.91 52.27 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.086 1.354 . . . . 0.0 107.399 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -143.23 160.48 40.39 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 127.044 2.138 . . . . 0.0 106.426 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.89 -4.47 2.17 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 174.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -126.58 4.34 6.82 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.828 1.251 . . . . 0.0 113.017 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.4 179.96 38.84 Favored Glycine 0 CA--C 1.526 0.771 0 CA-C-N 120.148 1.34 . . . . 0.0 114.773 176.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.63 119.99 31.47 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 126.707 2.003 . . . . 0.0 108.045 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -73.65 140.29 46.03 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 174.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.3 t -135.84 112.63 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.04 143.06 50.85 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 171.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 C--N 1.327 -0.375 0 C-N-CA 124.859 1.263 . . . . 0.0 110.684 -169.226 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.429 ' HG ' ' H ' ' A' ' 53' ' ' SER . 4.5 tp . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.429 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 20.3 m -138.96 136.13 35.09 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.123 1.369 . . . . 0.0 108.147 -176.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.5 p -77.89 150.71 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 168.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.21 33.4 85.04 Favored Glycine 0 CA--C 1.531 1.045 0 CA-C-O 119.052 -0.86 . . . . 0.0 111.785 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -126.71 163.42 23.56 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.167 0.987 . . . . 0.0 108.605 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -103.34 135.87 44.16 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 125.097 1.359 . . . . 0.0 108.769 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.6 m -145.04 147.08 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.854 1.262 . . . . 0.0 109.289 -170.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -91.92 135.75 33.69 Favored 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 168.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 m -129.7 144.81 36.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 125.905 1.682 . . . . 0.0 109.885 -173.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -96.77 133.35 41.46 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 168.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.24 117.6 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 171.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.7 tp -95.33 -38.49 10.5 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.18 0.992 . . . . 0.0 110.976 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.79 159.49 40.65 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.345 1.458 . . . . 0.0 108.752 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 170.4 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 64.9 mt . . . . . 0 C--O 1.231 0.128 0 N-CA-C 104.6 -2.371 . . . . 0.0 104.6 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 m -102.6 147.88 26.25 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 170.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.5 mt -134.52 167.28 21.06 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.905 0.882 . . . . 0.0 109.447 -170.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.5 m -136.55 148.22 47.46 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 124.052 0.941 . . . . 0.0 109.844 172.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.7 mm -114.96 -24.51 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 126.867 2.067 . . . . 0.0 109.512 169.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -56.66 -27.02 57.81 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 119.955 -1.716 . . . . 0.0 112.565 171.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 174.122 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 CA--C 1.536 0.408 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.6 m -53.27 130.48 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-O 121.808 0.813 . . . . 0.0 111.361 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.26 -18.41 57.43 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-O 117.124 -1.931 . . . . 0.0 113.43 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.2 m -60.01 162.88 5.19 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.595 1.697 . . . . 0.0 111.081 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.6 t -133.22 129.66 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 105.715 -1.958 . . . . 0.0 105.715 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -140.9 175.43 9.62 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.567 0.747 . . . . 0.0 109.349 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 m -115.16 144.79 43.14 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.16 -177.86 27.99 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -125.58 137.24 53.9 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 123.238 0.615 . . . . 0.0 110.125 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.8 t -73.99 125.37 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -170.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -105.32 -14.96 15.18 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 124.992 1.317 . . . . 0.0 112.083 -173.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.37 166.24 36.06 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 119.685 1.13 . . . . 0.0 110.741 169.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -116.47 152.11 34.71 Favored 'General case' 0 C--O 1.227 -0.123 0 C-N-CA 123.876 0.87 . . . . 0.0 108.775 167.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -141.01 161.2 38.4 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.549 2.34 . . . . 0.0 106.505 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.96 -6.9 2.07 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -127.62 0.72 6.16 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.803 1.641 . . . . 0.0 112.704 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.85 -176.75 39.86 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-N 120.429 1.468 . . . . 0.0 114.742 176.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.64 118.22 28.65 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.115 1.766 . . . . 0.0 108.219 -176.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -71.81 141.55 49.67 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.777 -0.577 . . . . 0.0 109.522 172.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 t -138.33 114.14 10.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.23 143.9 52.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.155 0.582 . . . . 0.0 109.786 167.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 C--O 1.225 -0.212 0 C-N-CA 124.676 1.19 . . . . 0.0 110.579 -168.318 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.445 HD13 ' H ' ' A' ' 53' ' ' SER . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.445 ' H ' HD13 ' A' ' 52' ' ' LEU . 50.6 m -149.42 133.87 17.53 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 123.936 0.894 . . . . 0.0 108.742 -167.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.2 t -68.39 150.82 10.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 169.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.03 29.12 72.43 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-O 119.223 -0.765 . . . . 0.0 111.762 174.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -121.12 160.67 23.21 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.052 0.941 . . . . 0.0 108.537 175.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -99.8 135.49 41.15 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.967 1.307 . . . . 0.0 109.551 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.7 m -143.52 146.34 21.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -173.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -93.66 136.53 33.84 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 122.443 0.297 . . . . 0.0 110.433 166.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.81 145.11 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 126.904 2.082 . . . . 0.0 108.432 -169.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -95.28 132.0 40.75 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 165.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.3 t -64.78 117.12 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.915 0.886 . . . . 0.0 108.907 172.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.8 tp -94.65 -38.63 10.74 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.472 1.109 . . . . 0.0 110.87 -178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.52 158.43 41.27 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 124.584 1.154 . . . . 0.0 108.561 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.328 -0.353 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 173.314 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.9 mt . . . . . 0 C--O 1.236 0.368 0 N-CA-C 105.609 -1.996 . . . . 0.0 105.609 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 m -107.27 151.1 25.91 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.831 0.853 . . . . 0.0 108.75 166.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.8 mt -137.51 167.96 20.61 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.685 1.194 . . . . 0.0 109.926 -167.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.6 m -137.88 148.85 45.74 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.914 0.886 . . . . 0.0 109.454 174.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.7 mm -116.97 -27.04 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 126.533 1.933 . . . . 0.0 109.415 170.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -56.7 -29.19 62.16 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 119.703 -1.873 . . . . 0.0 111.568 172.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.613 0 CA-C-O 117.301 -1.333 . . . . 0.0 112.73 176.736 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 N--CA 1.463 0.183 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.8 m -51.18 133.49 12.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 124.562 1.145 . . . . 0.0 110.816 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.81 -16.12 61.55 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 118.545 -1.142 . . . . 0.0 112.944 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -63.51 156.23 26.97 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.026 1.413 . . . . 0.0 109.88 173.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.3 t -121.2 137.97 53.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 172.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -144.35 -175.9 4.82 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 125.883 1.673 . . . . 0.0 108.42 -173.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.6 m -140.39 139.13 35.25 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.419 ' HA3' HD23 ' A' ' 27' ' ' LEU . . . -150.38 -179.18 25.95 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 123.707 0.67 . . . . 0.0 111.705 -175.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.01 122.06 39.31 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 -173.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.7 t -66.17 124.56 21.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -175.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -102.37 -15.24 16.6 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 125.099 1.36 . . . . 0.0 112.999 -174.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.43 169.7 42.29 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-N 119.586 1.085 . . . . 0.0 111.149 173.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.8 mt -127.03 154.52 44.54 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 125.004 1.322 . . . . 0.0 108.243 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -141.71 164.73 29.4 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 127.344 2.258 . . . . 0.0 106.692 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -12.04 17.11 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -132.7 10.43 4.33 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.14 0.976 . . . . 0.0 112.74 -176.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.11 178.07 40.81 Favored Glycine 0 C--N 1.338 0.689 0 O-C-N 120.383 -1.448 . . . . 0.0 113.855 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.18 132.4 47.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.281 1.432 . . . . 0.0 109.42 -177.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -82.6 145.94 29.42 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 174.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.2 t -138.99 129.95 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.13 139.97 29.93 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 169.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.419 HD23 ' HA3' ' A' ' 13' ' ' GLY . 36.4 mt . . . . . 0 N--CA 1.465 0.321 0 C-N-CA 123.146 0.579 . . . . 0.0 110.544 -174.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.6 m -158.57 139.76 13.18 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.245 -0.909 . . . . 0.0 109.234 179.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.35 148.8 11.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 168.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.89 32.73 70.08 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.026 -0.874 . . . . 0.0 111.341 177.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -127.37 162.8 25.44 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 175.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -107.46 131.81 53.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.5 m -142.4 145.41 23.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 C-N-CA 124.216 1.006 . . . . 0.0 109.795 -169.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -79.54 142.04 36.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 169.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.07 148.0 27.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 124.643 1.177 . . . . 0.0 110.337 177.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -103.83 130.59 51.41 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 168.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.7 t -68.57 125.9 27.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.9 tp -111.74 -30.74 7.21 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.623 1.169 . . . . 0.0 111.473 -172.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.43 159.35 38.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.94 1.296 . . . . 0.0 108.234 173.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 CA--C 1.535 0.4 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 173.63 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 54.0 mt . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.2 m -94.45 143.6 26.27 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 169.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.3 mt -131.45 165.63 23.1 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 124.616 1.167 . . . . 0.0 108.461 -169.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 p -143.28 148.34 36.2 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.293 0.637 . . . . 0.0 109.516 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.4 mm -112.2 -42.51 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 125.245 1.418 . . . . 0.0 108.1 -178.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -55.99 -24.19 37.29 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.397 0.999 . . . . 0.0 112.871 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.533 0 C-N-CA 124.934 1.294 . . . . 0.0 113.799 176.511 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.1 t -54.36 127.94 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 124.272 1.029 . . . . 0.0 110.214 -173.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.38 -19.61 47.64 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 118.107 -1.385 . . . . 0.0 112.566 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -63.77 164.17 10.44 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.602 1.201 . . . . 0.0 111.115 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.8 t -138.17 128.49 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -144.17 -176.06 4.86 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 125.102 1.361 . . . . 0.0 109.401 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.1 m -125.34 145.81 49.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.49 178.21 33.94 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 -177.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -117.67 136.41 53.35 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 117.46 0.63 . . . . 0.0 110.071 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 t -68.57 128.43 31.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -116.7 -8.51 11.42 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 124.734 1.214 . . . . 0.0 112.525 -172.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.61 165.27 34.88 Favored Glycine 0 C--N 1.334 0.434 0 CA-C-N 119.642 1.11 . . . . 0.0 111.308 169.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -121.36 153.32 37.93 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 124.406 1.082 . . . . 0.0 109.183 169.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -142.65 161.22 38.64 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 127.186 2.194 . . . . 0.0 106.704 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.06 -6.92 4.53 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -129.92 7.31 5.13 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.124 1.37 . . . . 0.0 113.893 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.2 177.99 40.25 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 119.836 1.198 . . . . 0.0 114.621 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.36 122.21 33.08 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.124 1.77 . . . . 0.0 108.585 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -75.65 140.52 42.61 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.2 t -135.26 113.19 15.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 174.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.04 148.42 41.97 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.547 0.739 . . . . 0.0 109.683 173.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--N 1.327 -0.402 0 C-N-CA 125.043 1.337 . . . . 0.0 110.709 -169.137 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 N--CA 1.465 0.32 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.1 m -144.61 124.24 13.27 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.568 1.147 . . . . 0.0 108.718 -168.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.42 143.44 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 172.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.37 30.19 62.92 Favored Glycine 0 CA--C 1.527 0.826 0 CA-C-O 119.235 -0.758 . . . . 0.0 111.809 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -123.19 160.97 25.42 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 172.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -103.17 136.49 42.86 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 124.556 1.142 . . . . 0.0 109.305 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.2 m -143.86 145.6 21.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 C-N-CA 124.89 1.276 . . . . 0.0 108.558 -171.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -86.74 137.6 32.31 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 168.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 m -130.58 143.21 41.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 125.962 1.705 . . . . 0.0 109.477 -173.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -95.3 130.99 41.87 Favored 'General case' 0 CA--C 1.523 -0.077 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 168.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.9 t -66.3 122.18 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 171.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.2 tp -109.89 -27.95 9.0 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 124.651 1.18 . . . . 0.0 111.646 -175.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.46 160.99 40.07 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.677 1.191 . . . . 0.0 108.971 169.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 C--N 1.326 -0.438 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 168.609 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--O 1.232 0.174 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 m -110.41 148.47 31.95 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 169.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.6 mt -134.0 167.89 19.79 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 124.262 1.025 . . . . 0.0 109.682 -168.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.2 t -137.0 151.52 49.08 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.528 1.131 . . . . 0.0 109.467 172.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.3 mm -123.98 -28.73 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 127.11 2.164 . . . . 0.0 109.715 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -56.66 -29.47 62.34 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 120.857 1.662 . . . . 0.0 111.409 168.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 174.926 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 . . . . . 0 CA--C 1.53 0.18 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 m -55.17 142.0 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 124.617 1.167 . . . . 0.0 111.674 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.86 -12.22 53.93 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-O 117.976 -1.458 . . . . 0.0 113.557 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 m -65.33 165.68 11.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 119.059 1.429 . . . . 0.0 110.726 172.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.5 t -139.63 127.11 25.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -140.64 179.97 6.38 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.458 1.103 . . . . 0.0 109.324 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.2 m -121.95 143.54 49.41 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.79 -178.97 29.64 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -174.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -121.49 136.49 54.95 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 117.607 0.703 . . . . 0.0 110.215 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.3 t -71.69 126.74 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 -175.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -115.1 -7.25 12.49 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.877 1.271 . . . . 0.0 112.227 -171.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.35 165.7 37.32 Favored Glycine 0 C--N 1.331 0.304 0 CA-C-N 119.384 0.993 . . . . 0.0 110.734 169.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.2 mt -130.78 148.76 52.6 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 124.871 1.268 . . . . 0.0 107.802 173.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -146.97 158.22 43.86 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.521 1.928 . . . . 0.0 106.857 -176.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.64 -3.06 1.97 Allowed 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -130.33 6.12 4.86 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.328 1.451 . . . . 0.0 114.446 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.48 178.11 39.43 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 119.81 1.186 . . . . 0.0 114.532 175.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.68 120.89 29.02 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 126.242 1.817 . . . . 0.0 108.57 -177.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -74.5 141.35 44.89 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 173.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.0 t -137.25 111.55 9.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 176.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.14 142.47 55.74 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.114 0.566 . . . . 0.0 109.692 168.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 C--N 1.33 -0.27 0 C-N-CA 123.186 0.594 . . . . 0.0 111.296 -167.847 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 C--O 1.223 -0.295 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 m -142.47 124.31 15.15 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -175.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.1 p -59.28 145.52 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 O-C-N 121.204 -0.935 . . . . 0.0 110.561 167.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.38 32.34 71.84 Favored Glycine 0 CA--C 1.526 0.756 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.107 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -126.87 161.77 27.48 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.95 0.9 . . . . 0.0 108.805 174.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -101.67 135.57 42.98 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.643 1.177 . . . . 0.0 109.916 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.9 m -144.24 143.42 23.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 C-N-CA 125.052 1.341 . . . . 0.0 109.083 -172.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -80.51 138.14 36.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 166.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 m -132.61 146.32 33.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 126.136 1.774 . . . . 0.0 109.901 -177.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -95.38 134.04 38.64 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 167.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.76 113.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 168.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -90.15 -41.83 11.41 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.412 0.685 . . . . 0.0 111.164 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.92 166.19 33.27 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 125.491 1.516 . . . . 0.0 108.777 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.467 0.379 0 C-N-CA 124.813 1.245 . . . . 0.0 108.783 173.449 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 78.1 mt . . . . . 0 CA--C 1.522 -0.103 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 m -96.28 145.96 25.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 166.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.1 mt -132.82 166.33 22.52 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 123.68 0.792 . . . . 0.0 110.096 -170.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 m -135.27 150.3 50.0 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 123.949 0.9 . . . . 0.0 109.889 171.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.5 mm -117.59 -24.73 3.26 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 C-N-CA 125.917 1.687 . . . . 0.0 110.403 171.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -54.45 -27.16 35.39 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.923 1.238 . . . . 0.0 113.297 169.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 176.772 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 . . . . . 0 C--O 1.235 0.326 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.1 m -54.89 140.62 12.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 124.595 1.158 . . . . 0.0 112.538 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.9 -21.95 27.81 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 117.261 -1.855 . . . . 0.0 112.969 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 m -63.19 164.58 8.47 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 118.798 1.299 . . . . 0.0 110.955 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.9 t -138.94 129.63 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -140.93 -175.28 4.25 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.933 1.293 . . . . 0.0 109.576 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -120.51 146.15 46.57 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.32 -176.0 24.51 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 124.966 1.27 . . . . 0.0 110.16 -177.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -125.97 135.08 51.42 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 117.864 0.832 . . . . 0.0 110.372 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.2 t -70.85 126.89 32.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -174.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -111.66 -11.83 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.948 1.299 . . . . 0.0 112.21 -173.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.75 166.0 35.46 Favored Glycine 0 C--N 1.334 0.44 0 O-C-N 120.957 -1.089 . . . . 0.0 110.899 168.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.6 mt -118.93 151.06 38.83 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 123.994 0.918 . . . . 0.0 108.851 167.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -141.89 160.43 40.22 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 127.35 2.26 . . . . 0.0 106.429 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -7.53 4.12 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -120.28 -2.64 10.07 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.649 1.58 . . . . 0.0 113.499 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.95 -178.05 39.51 Favored Glycine 0 C--N 1.339 0.721 0 CA-C-N 120.181 1.355 . . . . 0.0 114.326 -178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.87 120.01 32.2 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 126.504 1.922 . . . . 0.0 108.357 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -71.38 137.73 48.61 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 170.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.6 t -135.01 110.69 12.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.89 142.28 57.96 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.321 0.581 . . . . 0.0 110.21 168.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.6 mt . . . . . 0 C--O 1.224 -0.266 0 C-N-CA 124.537 1.135 . . . . 0.0 110.338 -168.463 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.9 tp . . . . . 0 C--O 1.224 -0.247 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.1 m -144.21 132.12 21.48 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.824 0.85 . . . . 0.0 109.074 -172.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.9 t -64.88 148.71 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 170.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.28 29.0 72.08 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-O 118.719 -1.045 . . . . 0.0 111.78 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -122.38 158.83 28.8 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -96.94 134.92 39.66 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.777 1.231 . . . . 0.0 110.346 176.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.0 m -142.47 143.31 26.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 124.427 1.091 . . . . 0.0 108.905 -169.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.37 141.55 41.47 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 165.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -138.61 133.17 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 124.727 1.211 . . . . 0.0 109.619 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -86.88 132.95 33.67 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 166.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.2 t -66.35 117.11 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 167.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.3 tp -101.06 -34.38 9.76 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 123.62 0.768 . . . . 0.0 111.371 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.43 162.25 40.8 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 124.749 1.22 . . . . 0.0 108.926 173.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 CA--C 1.533 0.325 0 C-N-CA 124.809 1.243 . . . . 0.0 107.961 166.948 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 69.5 mt . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 m -106.35 147.35 29.33 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 170.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.6 mt -133.86 166.71 22.04 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.782 0.833 . . . . 0.0 109.976 -168.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.3 t -133.45 146.01 50.77 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 168.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.7 mm -104.4 -45.82 9.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 126.449 1.9 . . . . 0.0 108.082 174.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -57.29 -27.63 62.3 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 123.908 0.883 . . . . 0.0 112.613 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 117.493 -1.241 . . . . 0.0 114.268 177.695 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 . . . . . 0 CA--C 1.529 0.151 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.0 m -51.48 135.92 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 124.571 1.148 . . . . 0.0 111.997 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.95 -9.68 59.57 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-O 117.832 -1.538 . . . . 0.0 113.878 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -65.1 163.18 15.41 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 119.597 1.699 . . . . 0.0 110.591 167.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.4 t -138.77 128.88 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -141.16 -175.2 4.24 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.997 1.319 . . . . 0.0 108.88 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.7 m -120.48 147.75 44.71 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.844 0.858 . . . . 0.0 108.821 175.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.6 -177.96 26.76 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 124.848 1.213 . . . . 0.0 110.168 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -121.52 136.57 54.94 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 117.598 0.699 . . . . 0.0 110.464 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 t -70.27 125.49 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -177.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -112.23 -9.24 13.92 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 125.228 1.411 . . . . 0.0 112.004 -171.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.74 169.35 42.04 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 169.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.4 mt -123.27 159.14 29.39 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 125.064 1.345 . . . . 0.0 108.278 170.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -148.13 159.74 43.62 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 126.25 1.82 . . . . 0.0 106.824 173.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.76 -5.82 1.03 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -131.48 5.1 4.35 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.686 -1.259 . . . . 0.0 114.395 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.69 178.74 39.44 Favored Glycine 0 CA--C 1.524 0.656 0 CA-C-N 119.878 1.217 . . . . 0.0 112.712 177.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -128.03 140.62 51.86 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.931 0.892 . . . . 0.0 109.748 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -85.27 139.93 31.23 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.8 t -134.93 118.82 25.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 174.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.48 148.85 27.9 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.536 0.735 . . . . 0.0 110.84 171.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.4 mt . . . . . 0 N--CA 1.464 0.261 0 C-N-CA 125.636 1.574 . . . . 0.0 110.693 -174.395 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 53' ' ' SER . 4.3 tp . . . . . 0 CA--C 1.533 0.292 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.421 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 49.3 m -150.06 125.56 10.25 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.734 1.213 . . . . 0.0 107.943 -170.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -61.34 148.3 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 O-C-N 121.218 -0.926 . . . . 0.0 110.741 165.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.49 32.26 67.94 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 118.911 -0.938 . . . . 0.0 112.001 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -127.15 161.86 27.49 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.821 0.848 . . . . 0.0 109.001 174.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -103.93 133.97 48.01 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.22 1.408 . . . . 0.0 109.552 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.3 m -144.91 141.97 23.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 C-N-CA 124.063 0.945 . . . . 0.0 109.217 -170.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -70.96 139.94 50.77 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 164.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -132.62 134.29 58.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 125.892 1.677 . . . . 0.0 109.205 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -88.59 131.31 35.01 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 166.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.95 115.46 2.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 123.626 0.771 . . . . 0.0 109.012 169.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.4 tp -91.61 -38.84 12.22 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 124.119 0.968 . . . . 0.0 111.235 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.63 158.49 39.77 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.947 1.299 . . . . 0.0 108.958 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 170.993 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.2 mt . . . . . 0 C--O 1.236 0.353 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.0 m -107.38 151.21 25.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 167.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.4 mt -135.49 168.73 18.68 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.302 1.441 . . . . 0.0 108.307 -167.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.9 p -146.13 154.62 42.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.327 -0.858 . . . . 0.0 109.991 175.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.1 mm -125.01 -27.9 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 C-N-CA 125.567 1.547 . . . . 0.0 110.358 -176.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -57.65 -23.17 49.93 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 120.442 1.473 . . . . 0.0 112.582 169.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.421 0 C-N-CA 124.675 1.19 . . . . 0.0 114.183 173.637 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--O 1.236 0.362 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.1 m -48.57 132.92 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 124.824 1.249 . . . . 0.0 111.862 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.97 -15.75 58.63 Favored Glycine 0 CA--C 1.529 0.918 0 CA-C-O 117.69 -1.617 . . . . 0.0 113.545 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -63.73 165.46 8.37 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 119.155 1.477 . . . . 0.0 111.075 177.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -139.41 125.9 23.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -145.05 -175.69 4.79 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 125.069 1.348 . . . . 0.0 109.426 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -122.21 147.7 45.86 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.743 0.817 . . . . 0.0 109.156 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.67 -177.67 30.03 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 125.361 1.458 . . . . 0.0 110.295 -174.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -126.73 134.2 50.71 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 117.865 0.833 . . . . 0.0 110.138 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 t -71.67 124.27 27.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -174.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -107.24 -12.75 15.3 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.762 1.225 . . . . 0.0 112.647 -174.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.57 164.1 34.89 Favored Glycine 0 C--N 1.334 0.425 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 170.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.0 mt -131.35 149.4 52.56 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 125.005 1.322 . . . . 0.0 108.036 175.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -154.93 157.46 37.78 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 -170.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.07 -19.61 13.72 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 175.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -106.73 -13.21 15.33 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.459 1.104 . . . . 0.0 112.785 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.22 174.19 28.62 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 119.653 1.115 . . . . 0.0 114.287 -176.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.3 127.69 55.62 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 126.063 1.745 . . . . 0.0 109.32 -173.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -78.04 142.62 38.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 170.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.11 119.49 12.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.71 145.63 51.77 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.188 1.395 . . . . 0.0 111.009 169.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--O 1.222 -0.362 0 C-N-CA 125.461 1.504 . . . . 0.0 107.262 170.048 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -141.22 133.57 28.19 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.072 1.349 . . . . 0.0 108.364 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.69 149.67 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 O-C-N 121.746 -0.596 . . . . 0.0 109.873 168.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.3 33.06 83.88 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-O 119.2 -0.778 . . . . 0.0 111.704 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -124.87 161.49 26.45 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 123.978 0.911 . . . . 0.0 108.551 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -102.81 133.5 47.77 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.632 1.173 . . . . 0.0 108.722 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.6 m -143.02 142.83 25.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 C-N-CA 124.366 1.066 . . . . 0.0 109.114 -170.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -79.63 135.4 36.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 167.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.2 m -126.18 147.66 30.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 125.989 1.715 . . . . 0.0 109.244 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -99.16 130.98 45.51 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 167.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.59 117.4 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 170.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.0 tp -98.16 -35.65 10.31 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.558 0.743 . . . . 0.0 111.188 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.26 164.15 38.0 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.2 1.4 . . . . 0.0 108.903 173.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.9 t . . . . . 0 C--N 1.327 -0.383 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 174.864 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.8 mt . . . . . 0 C--O 1.234 0.239 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 m -90.08 143.61 26.62 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 168.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.2 mt -129.49 163.82 25.08 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 123.696 0.798 . . . . 0.0 109.302 -169.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.1 t -131.21 145.98 52.14 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.1 mm -121.4 -23.89 2.89 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 C-N-CA 126.417 1.887 . . . . 0.0 109.542 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -56.46 -30.63 63.13 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 121.595 1.998 . . . . 0.0 111.745 169.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 172.169 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 CA--C 1.529 0.162 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.5 m -53.94 125.19 7.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.703 0.763 . . . . 0.0 110.436 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.33 -14.98 59.32 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-O 118.281 -1.288 . . . . 0.0 112.895 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.0 p -62.06 156.83 20.34 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.494 1.647 . . . . 0.0 110.023 171.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.27 127.61 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -142.07 -170.01 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.217 1.407 . . . . 0.0 109.153 -174.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -124.3 148.58 47.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.15 -176.08 26.95 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -127.08 136.13 51.73 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 117.571 0.685 . . . . 0.0 109.521 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 t -71.78 126.01 31.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 -173.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -113.04 -8.95 13.61 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 124.853 1.261 . . . . 0.0 112.575 -173.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.34 160.83 33.75 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 169.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.9 mt -134.96 145.41 48.13 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 175.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -154.57 158.44 39.79 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 125.266 1.426 . . . . 0.0 108.229 -172.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.19 -3.88 1.49 Allowed 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -128.53 -1.26 5.54 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.419 1.088 . . . . 0.0 113.205 177.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.89 174.88 38.48 Favored Glycine 0 C--N 1.34 0.798 0 CA-C-N 120.784 1.629 . . . . 0.0 114.275 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.05 122.81 35.42 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.844 1.658 . . . . 0.0 107.872 -176.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -78.04 139.35 39.1 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 t -134.75 114.27 17.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.38 144.11 44.54 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 172.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.1 mt . . . . . 0 C--N 1.326 -0.424 0 C-N-CA 125.504 1.521 . . . . 0.0 110.373 -170.799 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 CA--C 1.533 0.305 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.0 m -150.14 132.94 15.98 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 123.804 0.842 . . . . 0.0 109.186 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.02 148.03 12.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 172.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.49 28.27 72.57 Favored Glycine 0 CA--C 1.526 0.737 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.182 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -125.43 163.13 23.29 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -100.37 137.67 38.48 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.765 1.226 . . . . 0.0 108.087 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.4 m -144.62 145.96 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 124.188 0.995 . . . . 0.0 109.421 -174.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -82.17 139.22 34.45 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 169.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.99 135.93 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 125.503 1.521 . . . . 0.0 109.138 -174.026 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -97.33 132.07 43.42 Favored 'General case' 0 N--CA 1.46 0.051 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 171.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.0 t -75.22 126.28 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 124.488 1.115 . . . . 0.0 108.576 174.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -116.54 -21.26 9.26 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.407 1.083 . . . . 0.0 112.688 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.35 155.71 39.24 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.441 1.019 . . . . 0.0 108.778 169.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 170.874 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 58.5 mt . . . . . 0 C--O 1.234 0.273 0 N-CA-C 104.936 -2.246 . . . . 0.0 104.936 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 m -101.45 139.24 37.39 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 169.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.6 mt -126.21 168.8 13.57 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 124.834 1.254 . . . . 0.0 108.425 -170.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 65.3 m -145.89 150.96 37.08 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 121.63 -0.668 . . . . 0.0 109.355 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.7 mm -117.18 -18.27 7.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 C-N-CA 125.386 1.475 . . . . 0.0 109.364 177.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -52.74 -31.2 36.79 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 119.593 -1.942 . . . . 0.0 112.007 169.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.476 0 C-N-CA 125.263 1.425 . . . . 0.0 113.143 176.24 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 N--CA 1.469 0.501 0 CA-C-O 117.94 -1.029 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.73 164.71 18.89 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 125.465 1.506 . . . . 0.0 108.646 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.98 151.69 27.25 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 125.304 1.442 . . . . 0.0 108.914 169.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -150.75 27.07 0.73 Allowed 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.03 1.332 . . . . 0.0 112.202 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -133.43 167.93 19.53 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.459 1.904 . . . . 0.0 107.219 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -143.85 147.98 34.84 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 123.711 0.804 . . . . 0.0 108.844 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 m -51.47 137.93 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 125.539 1.536 . . . . 0.0 111.421 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.15 -14.2 59.68 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-O 118.131 -1.372 . . . . 0.0 113.458 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.4 m -66.28 166.32 12.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 119.066 1.433 . . . . 0.0 110.984 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.0 t -139.15 127.9 28.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -145.12 172.72 12.69 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 124.823 1.249 . . . . 0.0 109.9 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 m -119.51 143.72 47.41 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 123.691 0.796 . . . . 0.0 109.02 -174.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.24 -172.97 24.23 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 125.131 1.348 . . . . 0.0 110.41 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -127.58 137.27 52.54 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 117.839 0.819 . . . . 0.0 110.523 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.3 t -71.16 124.86 28.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -175.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -108.3 -10.92 15.29 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.538 1.535 . . . . 0.0 112.682 -176.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -172.46 166.85 39.66 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 119.681 1.128 . . . . 0.0 111.066 171.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.4 mt -131.87 146.94 52.42 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.862 1.265 . . . . 0.0 108.07 172.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -146.29 159.72 42.96 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 126.26 1.824 . . . . 0.0 108.011 -176.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.43 -6.87 3.68 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -120.21 -6.19 9.91 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.357 1.463 . . . . 0.0 113.774 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.55 -175.29 41.29 Favored Glycine 0 CA--C 1.523 0.568 0 CA-C-N 119.895 1.225 . . . . 0.0 113.282 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.71 129.04 50.48 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 125.25 1.42 . . . . 0.0 108.447 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -78.53 139.81 38.61 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.7 t -135.64 126.05 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.57 125.7 29.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 166.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 mt -98.73 -34.58 10.47 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.587 0.755 . . . . 0.0 111.128 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -159.7 165.94 31.55 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.195 1.398 . . . . 0.0 108.257 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -54.38 -21.23 9.02 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.211 1.005 . . . . 0.0 112.881 171.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -119.78 10.53 11.66 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.064 1.346 . . . . 0.0 111.984 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.4 m -149.84 133.77 17.0 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.732 1.151 . . . . 0.0 111.128 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -150.63 132.89 15.44 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 -171.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.01 -179.31 16.51 Favored Glycine 0 CA--C 1.524 0.594 0 CA-C-N 119.015 0.825 . . . . 0.0 113.145 -175.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.5 tp -131.73 104.54 6.96 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 125.066 1.346 . . . . 0.0 108.363 -168.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.4 t -67.14 115.53 5.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 166.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -74.23 145.25 44.25 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.5 tt -56.83 -35.58 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.1 -1.0 . . . . 0.0 112.691 -175.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -66.17 -5.36 9.85 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.974 1.31 . . . . 0.0 113.672 175.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -123.86 0.35 8.6 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.121 2.168 . . . . 0.0 110.454 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.4 t -72.88 -39.88 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 O-C-N 120.737 -1.227 . . . . 0.0 110.921 173.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 86.5 m -152.67 159.58 43.18 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -60.2 -28.29 67.85 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -170.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 179.32 179.65 48.76 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.0 t80 47.74 43.29 16.72 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.276 1.431 . . . . 0.0 111.926 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 t -78.89 59.13 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.449 1.1 . . . . 0.0 109.256 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -53.93 -36.04 62.36 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.44 1.096 . . . . 0.0 113.349 -170.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -152.89 140.05 19.37 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 169.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.3 tt -66.6 -32.37 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 117.791 -1.099 . . . . 0.0 112.785 -173.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -19.03 65.74 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.556 1.071 . . . . 0.0 112.885 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -78.43 -4.34 47.84 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 122.677 0.391 . . . . 0.0 111.606 175.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -133.16 -21.97 2.05 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.826 1.25 . . . . 0.0 113.252 -169.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.2 mt -144.76 168.36 20.39 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.893 1.677 . . . . 0.0 109.157 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.7 m -140.53 128.94 22.59 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.014 1.326 . . . . 0.0 108.251 -176.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.3 p -64.34 149.06 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 O-C-N 121.244 -0.91 . . . . 0.0 109.98 168.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.53 33.29 80.96 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.293 -0.726 . . . . 0.0 111.84 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -126.47 159.79 32.35 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.928 0.891 . . . . 0.0 108.672 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -93.41 138.38 31.78 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.492 1.117 . . . . 0.0 109.354 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.8 m -143.75 148.36 18.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 124.943 1.297 . . . . 0.0 108.515 -173.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -102.47 129.96 49.14 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 171.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.7 m -124.06 147.64 28.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 126.293 1.837 . . . . 0.0 109.758 -169.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -97.14 131.54 43.8 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 168.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.3 t -67.5 117.42 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 125.093 1.357 . . . . 0.0 108.461 170.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -93.45 -41.01 10.03 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 122.63 0.372 . . . . 0.0 111.217 173.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.01 151.64 25.58 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.319 1.447 . . . . 0.0 108.166 -174.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.2 t -124.06 145.09 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -131.66 77.2 1.76 Allowed 'General case' 0 C--O 1.235 0.312 0 C-N-CA 125.419 1.488 . . . . 0.0 108.449 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -54.37 -24.24 18.77 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 126.203 1.801 . . . . 0.0 112.636 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -55.78 -34.11 64.98 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.185 0.994 . . . . 0.0 111.204 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -128.99 -0.05 5.27 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.48 1.112 . . . . 0.0 112.408 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.15 25.11 65.99 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-N 118.463 0.574 . . . . 0.0 112.714 -171.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -86.75 163.43 17.3 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 118.243 1.022 . . . . 0.0 109.885 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 17.9 mt -143.52 135.36 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.5 m -85.1 136.39 33.58 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 166.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.3 mt -128.27 164.4 22.66 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.617 0.767 . . . . 0.0 110.54 -168.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.4 t -133.14 153.37 51.59 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.712 1.205 . . . . 0.0 109.829 171.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.9 mm -124.4 -29.75 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 127.735 2.414 . . . . 0.0 109.93 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -57.99 -35.94 71.92 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 120.185 1.357 . . . . 0.0 110.847 169.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.7 -48.65 80.4 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 122.879 0.472 . . . . 0.0 111.393 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.7 p -82.24 -36.08 27.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.343 0.52 . . . . 0.0 111.715 -170.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.21 -31.12 72.19 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.926 0.785 . . . . 0.0 111.468 174.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.85 -28.66 61.7 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 175.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.6 149.12 96.99 Favored Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 118.609 0.64 . . . . 0.0 111.625 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.4 174.13 11.33 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 122.851 2.367 . . . . 0.0 110.942 169.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -148.08 173.66 12.71 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 123.954 0.902 . . . . 0.0 110.236 171.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -59.42 121.25 11.03 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 171.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -82.95 62.08 6.31 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 124.576 1.15 . . . . 0.0 109.5 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -138.21 156.45 47.69 Favored 'General case' 0 C--O 1.246 0.901 0 C-N-CA 125.506 1.522 . . . . 0.0 108.01 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.5 m -58.74 147.56 32.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 122.589 1.185 . . . . 0.0 111.899 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -141.69 158.58 62.5 Favored Pre-proline 0 N--CA 1.467 0.398 0 C-N-CA 126.232 1.813 . . . . 0.0 107.26 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -48.8 -29.08 14.04 Favored 'Trans proline' 0 CA--C 1.535 0.541 0 C-N-CA 124.614 3.542 . . . . 0.0 117.508 -169.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -110.76 -5.47 14.96 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 117.674 -1.155 . . . . 0.0 113.992 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -55.47 -33.58 18.61 Favored Pre-proline 0 CA--C 1.54 0.561 0 CA-C-O 116.436 -1.745 . . . . 0.0 114.414 168.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -57.51 -15.02 18.33 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.777 2.318 . . . . 0.0 115.461 169.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.8 tptt 49.63 52.75 13.97 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.685 1.594 . . . . 0.0 110.695 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.62 -18.25 28.8 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -176.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.19 -17.93 62.94 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 173.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -57.57 150.04 20.02 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.0 0.818 . . . . 0.0 111.463 174.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.3 m -133.05 6.2 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.254 1.422 . . . . 0.0 111.99 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 m -145.25 161.35 39.77 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.446 1.499 . . . . 0.0 108.946 -177.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.95 145.07 51.79 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.128 0.571 . . . . 0.0 110.0 171.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -72.56 9.54 1.05 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.061 1.745 . . . . 0.0 113.275 -174.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.06 137.24 51.59 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.688 1.195 . . . . 0.0 111.522 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.0 m -72.35 -18.41 61.76 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.708 1.203 . . . . 0.0 112.227 174.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.89 159.84 48.84 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 124.987 1.315 . . . . 0.0 109.839 -169.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -81.6 -28.43 2.22 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.626 2.217 . . . . 0.0 112.484 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -78.17 -12.4 59.99 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.25 1.02 . . . . 0.0 112.845 -173.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 174.97 172.79 40.23 Favored Glycine 0 C--O 1.222 -0.6 0 C-N-CA 125.842 1.687 . . . . 0.0 108.913 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -61.14 -35.86 78.23 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.386 1.093 . . . . 0.0 111.507 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -152.2 121.18 6.61 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 168.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.91 27.15 1.83 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.91 0.884 . . . . 0.0 110.263 -168.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -52.67 135.93 33.99 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 118.727 0.694 . . . . 0.0 112.106 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -169.94 173.43 6.06 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.551 1.54 . . . . 0.0 109.415 -169.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -140.52 -43.97 0.4 Allowed 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.746 0.654 . . . . 0.0 111.274 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.03 -23.76 66.65 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.393 -0.817 . . . . 0.0 112.916 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 24.1 tp -134.85 42.62 2.79 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.558 1.143 . . . . 0.0 109.204 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -73.25 65.99 0.87 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 122.634 1.206 . . . . 0.0 110.83 167.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -145.62 164.41 31.81 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 127.709 2.404 . . . . 0.0 107.24 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 37.3 m95 64.1 176.15 0.18 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 127.02 2.128 . . . . 0.0 112.203 -172.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.6 tt -146.3 -31.05 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.455 1.102 . . . . 0.0 112.206 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -133.61 18.67 3.91 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.914 0.864 . . . . 0.0 110.002 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 65.3 mtt -142.48 160.94 39.3 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 126.135 1.774 . . . . 0.0 107.807 177.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.6 m -147.95 162.77 38.65 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.732 1.613 . . . . 0.0 108.33 175.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -62.35 147.32 48.71 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.81 -0.556 . . . . 0.0 110.539 170.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.1 mmt85 -66.04 164.09 16.04 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.458 0.703 . . . . 0.0 110.836 172.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -56.02 148.83 16.64 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 167.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -55.37 -26.2 39.79 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 33.0 tp -54.97 -15.19 1.83 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.838 1.655 . . . . 0.0 114.195 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 11.0 tp -55.23 -36.13 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 O-C-N 120.549 -1.344 . . . . 0.0 112.381 167.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -68.38 135.33 51.62 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 118.776 0.716 . . . . 0.0 109.118 176.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt . . . . . 0 C--O 1.252 1.201 0 CA-C-O 116.907 -1.521 . . . . 0.0 108.404 -179.283 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.471 0.616 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.78 149.23 40.57 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 123.679 0.612 . . . . 0.0 110.916 175.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.4 -11.67 60.55 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.264 16.9 ptpt 53.47 17.08 1.03 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 127.155 2.182 . . . . 0.0 115.467 177.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -140.64 161.48 37.67 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 125.936 1.695 . . . . 0.0 107.621 172.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -141.96 146.06 35.21 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.675 1.19 . . . . 0.0 107.883 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 32.8 m -55.52 141.69 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 124.379 1.072 . . . . 0.0 111.718 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.62 -16.01 43.21 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 118.251 -1.305 . . . . 0.0 113.166 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -65.86 165.81 12.32 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.747 1.273 . . . . 0.0 110.546 171.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -146.49 129.67 9.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -142.12 -171.77 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.102 1.361 . . . . 0.0 109.154 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 m -117.9 150.69 38.79 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.32 -178.98 30.1 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 124.587 1.089 . . . . 0.0 110.587 -177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.61 124.04 32.76 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -172.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.4 t -66.57 127.95 28.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 C-N-CA 124.005 0.922 . . . . 0.0 108.542 -174.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.36 -11.05 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.813 1.645 . . . . 0.0 112.596 -171.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.94 167.59 38.48 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 119.62 1.1 . . . . 0.0 110.899 169.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.9 mt -125.71 150.51 47.61 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 124.829 1.252 . . . . 0.0 107.972 173.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -145.87 161.63 39.57 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 126.096 1.759 . . . . 0.0 107.721 178.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.39 -4.97 3.05 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -131.51 6.06 4.4 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.907 1.283 . . . . 0.0 113.973 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.25 179.4 38.41 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 119.496 1.044 . . . . 0.0 112.842 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.73 135.09 49.68 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.729 1.212 . . . . 0.0 109.626 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -80.28 141.28 35.66 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 174.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 t -136.54 112.83 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 175.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.55 144.84 55.42 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 169.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.5 mt -122.21 -29.26 4.21 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 124.399 1.08 . . . . 0.0 110.553 -169.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.29 163.56 33.29 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 127.168 2.187 . . . . 0.0 106.776 -174.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.17 -15.88 4.42 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.335 1.454 . . . . 0.0 114.371 -173.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -137.71 17.02 2.88 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.762 1.225 . . . . 0.0 112.152 177.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 m -140.35 141.19 35.68 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 121.129 -0.982 . . . . 0.0 110.383 -174.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -155.41 154.82 32.53 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.571 1.548 . . . . 0.0 107.996 -169.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.03 179.9 20.23 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.9 tp -130.75 103.94 6.89 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 124.771 1.228 . . . . 0.0 108.654 -168.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.11 114.59 6.22 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 165.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -70.13 151.17 45.74 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 175.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.3 tt -55.69 -37.42 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 121.289 -0.882 . . . . 0.0 112.655 -173.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -67.06 -4.67 10.48 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.197 1.399 . . . . 0.0 113.244 177.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -121.19 -0.03 10.02 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.486 1.914 . . . . 0.0 110.549 -174.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.1 t -69.87 -43.0 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 O-C-N 121.297 -0.877 . . . . 0.0 110.653 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 84.8 m -146.52 145.94 30.33 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -175.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -77.03 53.7 0.97 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.445 1.898 . . . . 0.0 111.011 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -179.78 -173.75 45.11 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 125.548 1.547 . . . . 0.0 109.651 -176.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -58.94 153.68 16.89 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 117.038 0.419 . . . . 0.0 110.742 172.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.7 t -128.59 95.51 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -53.38 -47.88 69.1 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.625 0.77 . . . . 0.0 110.565 -176.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -156.1 145.42 20.74 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 126.599 1.96 . . . . 0.0 105.737 168.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.0 tt -60.24 -35.08 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 117.268 -1.349 . . . . 0.0 113.114 -174.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -17.2 64.3 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.882 1.219 . . . . 0.0 113.483 178.02 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -83.93 -5.04 59.14 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.246 0.475 . . . . 0.0 111.473 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -133.26 -17.29 2.36 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.811 1.244 . . . . 0.0 113.472 -169.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.432 ' HG ' ' H ' ' A' ' 53' ' ' SER . 4.7 tp -148.4 175.46 11.1 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.956 1.702 . . . . 0.0 108.762 169.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.432 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 46.6 m -149.41 128.29 12.58 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.159 0.984 . . . . 0.0 108.442 -172.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.0 p -62.81 148.5 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 O-C-N 120.962 -1.086 . . . . 0.0 109.88 166.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.56 33.1 64.02 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 118.841 -0.977 . . . . 0.0 112.0 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -126.72 163.43 23.55 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 123.862 0.865 . . . . 0.0 108.764 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -111.38 124.42 52.21 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.205 1.402 . . . . 0.0 107.664 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.6 m -137.3 146.41 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 124.348 1.059 . . . . 0.0 109.467 -168.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -83.63 137.38 33.83 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 170.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.9 129.63 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 125.999 1.719 . . . . 0.0 108.109 -169.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -87.73 133.64 33.81 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 170.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.7 t -68.34 115.79 7.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 170.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.6 tp -95.72 -38.52 10.31 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 123.446 0.698 . . . . 0.0 111.282 -177.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.57 159.12 42.09 Favored 'General case' 0 N--CA 1.461 0.107 0 C-N-CA 124.27 1.028 . . . . 0.0 108.982 177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.2 t -140.83 141.64 31.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 106.236 -1.765 . . . . 0.0 106.236 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -139.36 105.05 5.12 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 169.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -79.14 -14.01 59.37 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.809 -0.615 . . . . 0.0 112.574 -173.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -78.16 -44.94 24.53 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.96 0.8 . . . . 0.0 109.102 174.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.81 -28.83 68.68 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.821 0.848 . . . . 0.0 111.227 168.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.88 48.05 57.02 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.581 -1.007 . . . . 0.0 110.581 -169.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -133.73 158.5 43.14 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.85 1.26 . . . . 0.0 110.235 -172.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 64.6 mt -140.81 137.29 35.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 m -109.47 150.06 28.67 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 168.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.4 mt -132.23 167.81 19.17 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.001 0.921 . . . . 0.0 108.956 -170.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.3 p -136.93 146.46 45.48 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.441 0.697 . . . . 0.0 109.701 169.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.1 mm -115.32 -23.3 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 126.892 2.077 . . . . 0.0 109.192 174.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -58.01 -26.63 62.65 Favored 'General case' 0 CA--C 1.52 -0.208 0 O-C-N 120.573 -1.329 . . . . 0.0 112.944 170.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.47 -27.63 64.37 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 173.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.2 p -107.69 -22.9 12.32 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.658 0.783 . . . . 0.0 112.289 -170.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -65.27 167.38 8.44 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.396 1.078 . . . . 0.0 110.916 168.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 50.89 41.95 27.43 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.97 1.708 . . . . 0.0 112.683 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -147.62 161.26 36.21 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 125.637 1.575 . . . . 0.0 108.925 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.12 158.01 10.01 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 123.701 2.934 . . . . 0.0 113.447 173.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -137.72 107.58 6.29 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 170.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -57.37 -30.57 64.98 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.232 0.613 . . . . 0.0 112.566 -175.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -67.37 -12.9 61.36 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.02 155.6 34.14 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.153 0.888 . . . . 0.0 111.645 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.5 m -139.54 17.02 2.54 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.961 1.304 . . . . 0.0 111.443 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -140.96 161.66 52.57 Favored Pre-proline 0 CA--C 1.538 0.481 0 C-N-CA 125.833 1.653 . . . . 0.0 108.906 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -50.57 153.61 7.53 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 123.301 2.667 . . . . 0.0 112.497 170.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -155.0 143.33 20.39 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.686 1.194 . . . . 0.0 108.076 -172.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -62.94 145.96 95.91 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-O 117.649 -1.167 . . . . 0.0 110.104 -174.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.31 -37.69 60.68 Favored 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 123.474 2.783 . . . . 0.0 113.76 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -60.32 -11.72 7.28 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.77 23.82 3.64 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.86 1.264 . . . . 0.0 110.947 172.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -144.04 31.49 1.26 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.381 1.472 . . . . 0.0 110.661 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -57.94 157.26 7.98 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.842 1.257 . . . . 0.0 111.38 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.6 m -127.01 -5.11 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.399 1.079 . . . . 0.0 112.535 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.8 m -60.74 151.2 30.11 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.729 0.811 . . . . 0.0 110.8 172.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -155.38 166.77 32.53 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.935 1.294 . . . . 0.0 109.458 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -150.22 147.49 27.75 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.833 1.653 . . . . 0.0 106.971 172.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -153.66 169.73 22.59 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 125.011 1.324 . . . . 0.0 109.656 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.0 m -75.12 17.58 0.23 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.419 1.487 . . . . 0.0 113.162 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.9 p -55.35 155.52 9.55 Favored Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 125.598 1.559 . . . . 0.0 112.419 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -71.22 -35.74 8.17 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.25 1.966 . . . . 0.0 112.41 -174.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 53.43 19.12 1.53 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.812 1.245 . . . . 0.0 113.284 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 60.11 21.54 56.49 Favored Glycine 0 CA--C 1.539 1.566 0 CA-C-O 118.743 -1.032 . . . . 0.0 114.16 -174.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -154.99 -47.3 0.08 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.981 1.391 . . . . 0.0 111.667 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -71.97 -7.19 47.25 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.781 1.233 . . . . 0.0 113.019 171.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.0 m -40.45 121.66 1.46 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.187 2.195 . . . . 0.0 111.527 177.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.47 154.64 41.36 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.308 0.575 . . . . 0.0 110.437 -177.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -65.52 -22.63 66.74 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 170.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -49.83 115.67 1.48 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.139 1.376 . . . . 0.0 112.141 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 71.4 tttt 42.56 43.05 3.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.017 1.727 . . . . 0.0 112.572 -174.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 61.5 tp -134.97 -40.72 0.76 Allowed 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 124.358 1.063 . . . . 0.0 110.779 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -73.14 -22.86 60.44 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.506 0.669 . . . . 0.0 110.806 170.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -140.45 173.76 11.18 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.657 1.983 . . . . 0.0 107.479 173.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 20.0 m-90 -135.59 44.32 2.53 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 121.12 -0.988 . . . . 0.0 110.069 -170.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 41.9 pt -131.98 172.58 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 126.262 1.825 . . . . 0.0 109.82 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -77.87 -160.48 0.19 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.93 0.892 . . . . 0.0 110.234 175.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 66.0 mtt -59.36 -16.31 21.91 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 120.925 -1.109 . . . . 0.0 112.687 168.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.1 m -136.24 167.66 20.86 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.26 1.824 . . . . 0.0 108.496 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -73.4 58.21 0.55 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.768 1.227 . . . . 0.0 111.893 175.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -57.11 142.63 41.77 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.027 -1.046 . . . . 0.0 109.718 174.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -59.32 161.88 5.17 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 123.544 0.527 . . . . 0.0 110.71 173.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -139.92 -45.12 0.43 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.161 0.913 . . . . 0.0 110.517 172.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 68.4 tp -69.02 126.87 31.18 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 167.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 8.9 tp -156.2 157.34 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 125.468 1.507 . . . . 0.0 108.053 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -145.85 145.12 30.63 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.136 1.374 . . . . 0.0 107.559 172.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? . . . . . 0 C--O 1.254 1.308 0 CA-C-O 116.301 -1.809 . . . . 0.0 109.251 176.487 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 N--CA 1.47 0.55 0 CA-C-O 120.074 -0.012 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.83 -10.9 2.05 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.632 1.573 . . . . 0.0 112.411 176.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -142.97 -172.24 3.63 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.376 1.871 . . . . 0.0 108.553 174.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -58.7 -32.42 69.15 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.722 -0.611 . . . . 0.0 111.686 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.67 165.21 30.96 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 126.886 2.074 . . . . 0.0 108.56 -173.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.9 mp0 -143.67 171.32 14.35 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.534 1.134 . . . . 0.0 109.98 -174.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -49.52 136.43 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 124.792 1.237 . . . . 0.0 111.149 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.81 -11.41 64.53 Favored Glycine 0 CA--C 1.533 1.208 0 CA-C-O 118.474 -1.181 . . . . 0.0 113.658 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.6 m -65.79 161.37 21.05 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.109 1.454 . . . . 0.0 110.075 171.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.9 t -128.44 127.85 67.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 172.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -137.14 178.31 7.19 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.871 1.668 . . . . 0.0 109.335 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -128.44 141.78 51.29 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.95 -176.67 27.44 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 124.354 0.978 . . . . 0.0 110.942 -173.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.96 125.51 39.64 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -171.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 t -67.19 128.61 30.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.4 -11.96 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.647 1.579 . . . . 0.0 112.847 -172.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.29 167.63 39.34 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 119.381 0.991 . . . . 0.0 110.983 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.6 mt -130.06 148.24 51.89 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 125.131 1.373 . . . . 0.0 107.596 175.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -145.81 160.96 41.02 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.443 1.897 . . . . 0.0 107.043 -177.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.14 -5.97 2.68 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 175.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -124.54 -0.63 8.1 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.65 1.18 . . . . 0.0 112.969 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.93 -179.85 37.03 Favored Glycine 0 CA--C 1.526 0.731 0 CA-C-N 120.048 1.295 . . . . 0.0 114.467 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.48 126.23 48.76 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.17 1.788 . . . . 0.0 108.638 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -77.03 141.59 40.25 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 173.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.5 t -136.83 114.97 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.27 148.88 37.27 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.8 mt -131.86 -27.56 1.86 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 124.711 1.204 . . . . 0.0 111.105 -171.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -150.88 173.11 14.64 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 126.612 1.965 . . . . 0.0 106.818 171.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -60.57 -12.24 9.44 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 125.116 1.366 . . . . 0.0 112.494 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -144.36 17.74 1.7 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.37 1.868 . . . . 0.0 111.252 -174.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 m -144.48 133.74 23.04 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -159.31 156.78 29.27 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.115 1.766 . . . . 0.0 107.099 -169.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.03 -177.67 22.57 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 172.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.0 tp -130.24 105.07 7.67 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.574 1.549 . . . . 0.0 108.804 -169.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.6 t -65.75 118.0 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 167.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -76.09 146.85 39.04 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 177.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.1 tt -55.1 -38.17 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 O-C-N 121.716 -0.615 . . . . 0.0 112.392 -173.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -66.15 -5.57 10.5 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.473 1.509 . . . . 0.0 113.277 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -121.12 3.28 10.43 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.083 1.753 . . . . 0.0 110.773 -173.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.3 t -75.46 -35.69 33.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 119.122 0.874 . . . . 0.0 111.092 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 82.5 m -155.78 153.52 29.97 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -80.22 55.14 2.13 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.011 1.325 . . . . 0.0 110.751 -177.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -168.59 -179.74 41.03 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 124.983 1.278 . . . . 0.0 110.051 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -69.79 103.74 2.26 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 176.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.2 t -75.09 75.99 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -56.3 -33.56 65.67 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.596 0.759 . . . . 0.0 112.544 -178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -151.94 136.6 17.01 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 169.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.9 tt -66.64 -33.73 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 118.57 -0.729 . . . . 0.0 112.798 -172.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -17.51 64.47 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.443 1.019 . . . . 0.0 112.245 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -83.02 -4.07 57.93 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.866 0.467 . . . . 0.0 111.358 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -133.17 -17.64 2.35 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.782 1.233 . . . . 0.0 113.776 -169.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.432 ' HG ' ' H ' ' A' ' 53' ' ' SER . 5.2 tp -145.68 178.09 8.41 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.766 1.626 . . . . 0.0 108.099 169.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.432 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 31.4 m -143.9 135.9 26.46 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.141 0.977 . . . . 0.0 108.893 -178.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.4 p -69.98 154.49 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 168.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.02 32.81 77.63 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-O 119.193 -0.782 . . . . 0.0 111.65 175.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -129.1 161.82 29.15 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -100.65 135.19 42.47 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.68 1.192 . . . . 0.0 107.804 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.9 m -142.44 145.63 23.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 C-N-CA 124.519 1.128 . . . . 0.0 108.877 -171.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -89.14 136.08 33.21 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 168.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.3 m -126.46 145.02 34.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 125.869 1.668 . . . . 0.0 109.495 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -101.08 132.61 46.45 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 168.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 t -67.56 131.06 33.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 172.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -112.25 -38.07 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.602 1.161 . . . . 0.0 111.302 -174.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.78 163.0 38.51 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.235 1.014 . . . . 0.0 109.4 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t -129.39 117.37 42.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 171.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -43.4 25.23 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.411 0.685 . . . . 0.0 110.748 -170.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 42.29 35.87 0.66 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 127.172 2.189 . . . . 0.0 114.108 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -136.53 -26.54 1.09 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.248 1.019 . . . . 0.0 111.863 169.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -108.58 -3.52 17.93 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 128.123 2.569 . . . . 0.0 108.844 169.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.59 49.37 56.34 Favored Glycine 0 C--N 1.34 0.8 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -130.29 165.39 22.56 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.088 0.944 . . . . 0.0 110.209 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 52.7 mt -140.09 127.63 24.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 104.647 -2.353 . . . . 0.0 104.647 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 m -88.82 142.63 27.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 174.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -128.27 170.52 12.94 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.969 1.308 . . . . 0.0 108.362 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.8 p -144.16 151.01 38.95 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 124.137 0.975 . . . . 0.0 109.807 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.2 mm -123.87 -29.66 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 126.189 1.796 . . . . 0.0 109.801 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -56.33 -29.83 61.8 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.465 1.484 . . . . 0.0 111.906 171.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.03 -56.17 24.94 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.872 0.869 . . . . 0.0 111.284 170.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.3 p -74.75 -31.24 61.74 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.873 0.469 . . . . 0.0 111.751 -172.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -62.05 -14.34 35.01 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.356 1.062 . . . . 0.0 112.025 169.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.97 30.32 5.69 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.082 1.753 . . . . 0.0 110.626 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.69 156.63 8.82 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.586 0.755 . . . . 0.0 111.565 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -54.88 -22.83 31.62 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 124.042 3.161 . . . . 0.0 115.711 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -144.52 148.43 34.47 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.676 1.19 . . . . 0.0 108.373 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -152.77 178.65 9.41 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.366 1.866 . . . . 0.0 108.657 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 171.08 14.55 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.674 1.189 . . . . 0.0 110.091 176.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -149.53 173.6 13.43 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.254 1.422 . . . . 0.0 109.186 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.5 p -148.61 145.43 27.78 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.154 1.381 . . . . 0.0 108.323 169.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -71.4 152.55 94.1 Favored Pre-proline 0 CA--C 1.537 0.478 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -67.09 154.82 73.25 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 122.151 1.901 . . . . 0.0 110.74 -176.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -101.63 11.41 38.96 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.841 0.856 . . . . 0.0 112.282 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -139.23 156.36 72.03 Favored Pre-proline 0 CA--C 1.537 0.443 0 C-N-CA 126.521 1.928 . . . . 0.0 106.81 169.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -65.35 165.22 23.03 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 121.923 1.749 . . . . 0.0 110.398 169.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -136.5 158.72 43.77 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.809 1.244 . . . . 0.0 108.831 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -139.96 19.66 2.47 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.314 1.046 . . . . 0.0 111.771 -175.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.25 -9.1 58.02 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -62.56 165.77 5.97 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.975 0.91 . . . . 0.0 111.538 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.7 m -137.22 167.9 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 126.62 1.968 . . . . 0.0 107.829 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.8 m -55.72 -34.41 65.11 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.656 0.782 . . . . 0.0 112.582 -176.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 34.0 mp0 -70.51 -10.18 58.54 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.192 1.397 . . . . 0.0 112.306 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -142.4 30.38 1.55 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.918 1.687 . . . . 0.0 109.484 -172.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.62 18.36 0.13 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.333 1.453 . . . . 0.0 113.782 -175.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 m -61.72 177.34 0.43 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.641 1.976 . . . . 0.0 111.92 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.9 m -51.31 137.14 30.05 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.648 0.779 . . . . 0.0 109.22 169.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -65.01 161.97 34.63 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.414 2.076 . . . . 0.0 111.244 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -60.75 -33.25 72.65 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 122.932 0.493 . . . . 0.0 111.195 175.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.46 179.32 41.8 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 124.561 1.077 . . . . 0.0 110.996 171.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -157.71 175.63 13.65 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 127.601 2.36 . . . . 0.0 107.023 171.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -64.27 148.01 51.16 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 118.254 0.479 . . . . 0.0 110.885 -172.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.3 p -119.74 -13.3 9.13 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.765 1.626 . . . . 0.0 111.73 -174.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 45.5 mt -75.41 134.93 40.8 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.691 0.796 . . . . 0.0 110.273 -171.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -66.65 -37.92 85.8 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.432 0.693 . . . . 0.0 110.921 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -148.31 158.85 44.34 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 125.832 1.653 . . . . 0.0 107.511 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -54.88 137.84 44.39 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 123.209 0.604 . . . . 0.0 111.533 -171.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.0 tp -143.33 -9.69 0.75 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.311 1.844 . . . . 0.0 110.85 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -67.67 -17.14 64.48 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.552 1.941 . . . . 0.0 111.38 176.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -139.68 167.95 20.92 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.038 2.135 . . . . 0.0 107.853 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -139.02 178.79 6.91 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.133 1.373 . . . . 0.0 109.445 -173.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 44.1 pt -67.97 0.62 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.893 1.277 . . . . 0.0 113.639 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -145.85 162.64 37.26 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 126.188 1.795 . . . . 0.0 107.369 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 15.4 tpt -61.42 -29.01 69.66 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.319 1.048 . . . . 0.0 112.094 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.7 m -56.98 154.97 8.73 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.804 1.242 . . . . 0.0 111.61 177.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -145.6 141.07 27.84 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.359 1.063 . . . . 0.0 108.86 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -144.78 158.25 43.86 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.834 1.654 . . . . 0.0 107.467 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -61.97 137.89 58.3 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 173.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.7 -25.78 65.07 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.108 0.563 . . . . 0.0 112.485 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 32.9 tp -56.38 -16.65 6.02 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.357 1.863 . . . . 0.0 114.216 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 26.8 pt -58.27 -26.44 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-N 119.772 1.169 . . . . 0.0 112.874 172.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -63.62 139.13 58.74 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.166 0.894 . . . . 0.0 109.986 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 26.3 pttm . . . . . 0 C--O 1.243 0.72 0 CA-C-O 117.318 -1.325 . . . . 0.0 110.334 171.928 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 117.545 -1.217 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.83 -35.53 80.21 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.29 0.95 . . . . 0.0 111.154 174.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.12 -178.57 6.12 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 126.349 1.86 . . . . 0.0 107.579 168.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -72.26 0.07 10.84 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 171.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -131.05 163.3 27.91 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 126.305 1.842 . . . . 0.0 107.567 167.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -139.5 159.76 41.43 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 124.259 1.024 . . . . 0.0 110.535 -174.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -52.91 130.67 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 124.891 1.276 . . . . 0.0 109.985 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.6 -16.64 60.19 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-O 118.469 -1.184 . . . . 0.0 112.89 178.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 m -64.36 160.24 19.39 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.56 1.18 . . . . 0.0 110.297 172.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.5 t -122.93 139.02 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 169.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -141.33 -170.65 3.12 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.913 1.685 . . . . 0.0 107.637 -174.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.0 m -133.94 151.36 51.45 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 175.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.14 -179.86 32.39 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 174.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.44 122.72 40.4 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.7 t -65.85 125.47 23.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 C-N-CA 124.383 1.073 . . . . 0.0 108.785 -174.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -110.44 -14.35 14.12 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 125.255 1.422 . . . . 0.0 112.911 -171.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.35 171.51 44.62 Favored Glycine 0 C--N 1.333 0.392 0 CA-C-N 119.779 1.172 . . . . 0.0 111.153 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.6 mt -132.37 152.99 51.22 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 124.922 1.289 . . . . 0.0 108.621 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -145.75 160.21 42.07 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 127.167 2.187 . . . . 0.0 106.911 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.71 -5.85 4.73 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -129.85 7.09 5.14 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.01 1.324 . . . . 0.0 113.966 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.62 178.28 39.62 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-N 119.982 1.265 . . . . 0.0 114.331 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.41 128.56 48.31 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 125.532 1.533 . . . . 0.0 109.373 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -76.44 144.01 40.2 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 173.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.3 t -138.95 122.72 19.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.05 117.19 17.5 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 167.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.2 mt -88.88 -34.36 17.0 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 123.189 0.596 . . . . 0.0 110.15 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -158.17 169.55 24.27 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.652 1.981 . . . . 0.0 107.72 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -54.05 -23.44 13.66 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.294 1.038 . . . . 0.0 112.766 169.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -133.45 24.81 4.11 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.814 1.246 . . . . 0.0 111.319 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.3 m -149.25 139.86 22.58 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 120.893 -1.129 . . . . 0.0 109.22 173.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -155.23 141.94 18.92 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 120.147 -1.595 . . . . 0.0 107.188 -169.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.7 -178.68 23.99 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-N 119.061 0.846 . . . . 0.0 113.685 178.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -131.64 110.58 11.02 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 124.987 1.315 . . . . 0.0 108.408 -169.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.91 121.29 19.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 166.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -75.01 143.68 43.45 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 119.723 1.147 . . . . 0.0 108.631 171.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.1 tt -52.5 -40.02 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -175.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.3 m -66.2 -13.82 60.9 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -107.68 9.12 29.27 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.964 1.705 . . . . 0.0 111.772 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.2 t -75.46 -35.69 33.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 O-C-N 120.787 -1.196 . . . . 0.0 111.34 173.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 t -160.75 160.74 31.68 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.98 0.912 . . . . 0.0 109.347 -175.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -73.49 -23.47 60.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.244 0.618 . . . . 0.0 111.808 166.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.44 165.82 51.56 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 123.24 0.448 . . . . 0.0 112.22 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -63.3 120.36 11.43 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 168.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.53 100.57 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 123.618 0.767 . . . . 0.0 110.122 174.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -60.4 -50.46 73.51 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 172.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -163.48 144.62 9.23 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 127.61 2.364 . . . . 0.0 105.117 169.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.0 tt -50.83 -37.97 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 120.923 -1.11 . . . . 0.0 113.728 -176.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -12.59 59.66 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.742 1.155 . . . . 0.0 114.033 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -87.82 -6.05 58.31 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.661 0.664 . . . . 0.0 112.081 174.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -134.03 -5.98 2.73 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.23 1.012 . . . . 0.0 113.123 -174.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.78 169.46 20.41 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.3 1.84 . . . . 0.0 107.933 173.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.9 m -141.14 130.99 24.33 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.267 1.027 . . . . 0.0 108.578 -177.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.4 p -67.94 152.91 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 O-C-N 121.305 -0.872 . . . . 0.0 109.997 166.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.09 32.24 72.77 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 119.033 -0.87 . . . . 0.0 111.798 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -129.59 161.71 29.92 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -106.76 135.26 48.6 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 124.661 1.184 . . . . 0.0 109.043 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.7 m -144.89 141.47 23.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 124.427 1.091 . . . . 0.0 109.876 -168.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -76.11 136.43 39.84 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 166.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.67 135.17 51.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 125.21 1.404 . . . . 0.0 109.406 -173.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -84.98 136.41 33.61 Favored 'General case' 0 CA--C 1.523 -0.076 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 169.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 t -71.68 115.31 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.4 tp -100.13 -30.36 11.98 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.865 1.266 . . . . 0.0 111.527 -173.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.26 163.53 33.37 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.687 1.595 . . . . 0.0 108.484 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.9 t -131.91 143.4 40.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 170.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -138.45 71.53 1.39 Allowed 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.431 1.492 . . . . 0.0 108.874 -169.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -58.7 -19.62 41.5 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.666 1.186 . . . . 0.0 113.87 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -64.9 -24.48 67.54 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.602 0.761 . . . . 0.0 111.251 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -123.23 -4.35 8.42 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.114 1.366 . . . . 0.0 111.484 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.18 41.93 99.72 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -173.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -121.05 164.72 16.36 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 124.856 1.262 . . . . 0.0 109.775 -176.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.7 mt -139.98 143.6 29.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 m -101.57 149.45 24.09 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 167.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.6 mt -134.55 166.92 21.76 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.998 0.919 . . . . 0.0 109.782 -169.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.2 t -140.03 150.48 44.45 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 123.781 0.832 . . . . 0.0 109.344 173.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.4 mm -117.92 -32.49 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 C-N-CA 126.836 2.054 . . . . 0.0 109.352 173.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -58.39 -27.32 64.14 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 120.743 1.611 . . . . 0.0 111.738 171.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.1 -22.92 63.96 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 172.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.3 p -109.76 -31.42 7.45 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.719 1.145 . . . . 0.0 111.799 -173.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -142.06 110.85 6.2 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 126.467 1.907 . . . . 0.0 107.38 169.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.15 -37.07 64.02 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.224 0.61 . . . . 0.0 111.867 -172.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -134.16 158.28 75.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 C-N-CA 126.716 2.006 . . . . 0.0 107.128 167.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -69.16 21.65 0.15 Allowed 'Trans proline' 0 CA--C 1.548 1.202 0 C-N-CA 123.945 3.097 . . . . 0.0 114.183 -175.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -139.01 -5.41 1.48 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.74 2.016 . . . . 0.0 113.404 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -154.59 142.64 20.23 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 120.12 1.327 . . . . 0.0 110.37 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -61.77 -48.78 79.15 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 122.668 0.387 . . . . 0.0 110.903 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -154.22 152.57 30.49 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 175.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.2 m -127.19 -18.76 4.47 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.499 1.52 . . . . 0.0 111.677 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -63.16 144.74 97.29 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 118.609 0.64 . . . . 0.0 110.194 175.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -70.92 176.79 7.16 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.586 2.191 . . . . 0.0 110.124 168.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -142.8 145.56 33.36 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 121.125 -0.984 . . . . 0.0 108.713 169.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -60.53 157.61 35.47 Favored Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 122.94 0.496 . . . . 0.0 110.475 171.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -62.01 160.96 27.69 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 122.56 2.173 . . . . 0.0 110.853 169.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -69.92 90.53 0.62 Allowed 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 168.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.75 25.28 2.83 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.07 1.348 . . . . 0.0 110.686 -171.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -139.96 151.43 45.52 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.634 1.174 . . . . 0.0 108.703 173.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -72.16 -14.06 61.72 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 41.2 t -69.59 -45.62 77.58 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 C-N-CA 123.599 0.76 . . . . 0.0 110.593 -170.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 p -71.5 155.78 40.19 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 118.29 0.495 . . . . 0.0 111.076 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -144.64 165.3 28.41 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.001 1.321 . . . . 0.0 109.422 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -144.12 172.42 12.92 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.124 1.37 . . . . 0.0 109.407 -171.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.45 21.53 7.18 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.127 1.371 . . . . 0.0 111.649 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.8 m 57.09 23.28 8.3 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.367 1.467 . . . . 0.0 113.119 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.3 p -63.23 156.44 68.95 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 125.281 1.432 . . . . 0.0 111.875 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.43 -12.37 20.69 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.093 2.528 . . . . 0.0 113.612 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -50.22 129.21 20.93 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.113 0.965 . . . . 0.0 110.728 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 79.5 6.05 89.08 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 118.359 -1.245 . . . . 0.0 113.782 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.7 t80 63.6 -56.64 0.2 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 128.731 2.813 . . . . 0.0 114.247 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -150.79 157.2 42.64 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.541 1.536 . . . . 0.0 107.569 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.5 m -48.02 115.05 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 126.371 1.868 . . . . 0.0 110.083 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -59.08 141.79 53.14 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.294 0.569 . . . . 0.0 111.747 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -142.63 130.26 21.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.3 t70 58.63 -15.21 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 128.429 2.691 . . . . 0.0 116.657 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -139.25 170.01 16.73 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.539 1.935 . . . . 0.0 108.681 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 48.8 tp -52.82 154.23 2.89 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.6 1.16 . . . . 0.0 110.613 166.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -51.18 140.75 15.82 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.585 0.354 . . . . 0.0 111.756 169.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -163.41 161.15 24.22 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.824 1.25 . . . . 0.0 107.757 -174.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 49.0 p-90 -61.2 -24.99 66.73 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.7 pt -60.18 158.02 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 124.317 1.047 . . . . 0.0 112.008 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.7 153.6 27.76 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.887 0.851 . . . . 0.0 111.044 170.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 22.6 mmt -128.79 -1.33 5.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.061 2.144 . . . . 0.0 111.297 176.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.4 m 65.49 -178.07 0.18 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.444 1.898 . . . . 0.0 112.312 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -152.39 152.55 32.18 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.009 -1.057 . . . . 0.0 109.127 -175.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -144.93 158.1 43.92 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.893 1.677 . . . . 0.0 107.179 172.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -54.82 -40.38 69.51 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.074 0.55 . . . . 0.0 111.714 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -152.16 162.77 40.62 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 125.308 1.443 . . . . 0.0 108.005 171.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.4 mt -140.6 150.1 43.18 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.69 1.596 . . . . 0.0 108.568 177.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 20.9 tt -54.09 136.86 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 123.596 0.758 . . . . 0.0 111.161 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -139.89 134.38 31.56 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 124.77 1.228 . . . . 0.0 108.605 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 64.8 tttm . . . . . 0 C--O 1.243 0.713 0 O-C-N 124.673 1.233 . . . . 0.0 108.509 167.082 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.472 0.643 0 CA-C-O 117.283 -1.341 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.81 169.11 23.59 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.409 1.084 . . . . 0.0 108.787 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.44 158.17 43.87 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.464 1.506 . . . . 0.0 108.907 174.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -69.8 -18.09 63.44 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -136.23 163.45 30.37 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.827 1.651 . . . . 0.0 106.864 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -140.71 147.22 38.88 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.96 0.904 . . . . 0.0 108.951 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 t -49.2 128.41 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 125.175 1.39 . . . . 0.0 110.408 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.95 -8.66 79.21 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 117.303 -1.831 . . . . 0.0 113.523 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 m -64.36 164.8 10.68 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.466 1.633 . . . . 0.0 111.074 170.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.1 t -140.04 130.6 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -138.67 179.17 6.63 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.481 1.113 . . . . 0.0 108.966 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.1 m -109.31 149.93 28.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 169.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.32 178.43 29.53 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 124.496 1.046 . . . . 0.0 110.901 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.78 120.69 31.27 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -173.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 t -62.21 120.09 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 123.969 0.908 . . . . 0.0 109.124 -176.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.06 -17.23 19.24 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.576 1.55 . . . . 0.0 112.186 -175.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.18 169.98 41.96 Favored Glycine 0 C--N 1.335 0.496 0 CA-C-N 119.859 1.209 . . . . 0.0 110.786 173.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.2 mt -126.38 149.05 49.47 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.374 1.069 . . . . 0.0 108.452 173.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -143.12 159.53 42.11 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.735 2.014 . . . . 0.0 106.391 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.67 -7.25 6.95 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -122.44 -0.41 9.27 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.788 1.635 . . . . 0.0 113.313 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.18 -179.36 39.1 Favored Glycine 0 C--N 1.339 0.701 0 CA-C-N 119.614 1.097 . . . . 0.0 113.906 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.94 122.94 39.27 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.488 1.515 . . . . 0.0 108.636 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -70.98 139.19 50.49 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 171.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.8 t -139.24 114.4 8.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 177.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.86 146.28 55.11 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.088 0.555 . . . . 0.0 110.952 166.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.6 mt -128.27 -33.42 2.15 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.031 0.933 . . . . 0.0 110.584 -169.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.4 163.98 38.42 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 126.407 1.883 . . . . 0.0 106.959 -175.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -56.33 -18.85 12.06 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.163 1.385 . . . . 0.0 113.409 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -131.3 13.71 5.08 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.011 0.924 . . . . 0.0 111.694 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.3 m -143.07 141.99 31.42 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 120.304 -1.498 . . . . 0.0 111.012 -172.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -143.48 173.24 11.81 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.878 1.271 . . . . 0.0 110.304 172.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.33 -171.7 13.82 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 172.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.5 tp -137.34 102.69 4.87 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 -169.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.6 t -60.56 115.15 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 165.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -75.1 136.68 41.12 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 173.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.0 tt -52.96 -35.41 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 123.93 0.892 . . . . 0.0 113.091 -174.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -61.0 -17.39 51.8 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.254 1.021 . . . . 0.0 112.959 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -123.83 12.96 9.18 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.521 1.128 . . . . 0.0 111.427 -174.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.0 t -65.42 -34.45 70.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 O-C-N 121.388 -0.82 . . . . 0.0 111.885 170.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.7 m -151.77 151.76 31.8 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -75.5 41.67 0.2 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.525 1.53 . . . . 0.0 112.528 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -174.37 175.8 46.72 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.884 1.707 . . . . 0.0 109.604 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -59.41 113.24 2.09 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.226 0.611 . . . . 0.0 110.174 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.96 126.29 21.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 169.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -63.36 -54.62 34.0 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -161.32 145.46 13.2 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 129.079 2.951 . . . . 0.0 103.437 168.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.5 tt -57.55 -36.3 53.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 117.007 -1.473 . . . . 0.0 113.349 -173.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -15.25 59.14 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 174.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -90.63 -2.98 57.85 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.544 0.611 . . . . 0.0 111.223 175.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -125.08 -20.15 4.98 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.537 1.135 . . . . 0.0 113.369 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt -145.68 169.08 19.17 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 126.578 1.951 . . . . 0.0 109.679 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 m -145.71 126.94 14.79 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.2 147.12 7.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 O-C-N 121.02 -1.05 . . . . 0.0 111.091 165.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.65 30.28 68.75 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.063 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -125.68 162.73 24.36 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.113 0.965 . . . . 0.0 108.63 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -108.46 131.71 54.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.952 1.301 . . . . 0.0 109.343 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.2 m -144.89 141.4 23.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 C-N-CA 124.381 1.072 . . . . 0.0 109.106 -168.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -70.3 138.65 51.7 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 163.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -134.78 137.03 51.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 125.877 1.671 . . . . 0.0 108.698 -177.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -92.21 134.03 35.26 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 169.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.55 113.47 2.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 C-N-CA 124.381 1.073 . . . . 0.0 109.9 167.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.1 tp -91.19 -36.06 14.17 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.8 0.84 . . . . 0.0 111.743 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.63 164.77 36.89 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.278 1.431 . . . . 0.0 108.783 172.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 p -149.28 143.93 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 124.059 0.944 . . . . 0.0 108.81 173.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -142.99 102.99 4.11 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 169.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -74.7 -19.33 60.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.082 0.953 . . . . 0.0 112.2 -174.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -75.29 -44.78 43.77 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.753 0.787 . . . . 0.0 109.482 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -68.85 -19.84 64.26 Favored 'General case' 0 C--O 1.243 0.712 0 O-C-N 121.124 -0.985 . . . . 0.0 112.312 169.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 61.13 50.98 61.38 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -171.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -133.73 150.1 51.49 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 123.645 0.778 . . . . 0.0 109.792 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.5 mt -142.24 114.27 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -76.98 144.7 38.55 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 166.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.8 mt -130.23 167.17 18.87 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 123.828 0.851 . . . . 0.0 110.113 -176.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 61.4 m -134.41 152.66 51.94 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.625 1.17 . . . . 0.0 109.365 173.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.8 mm -122.54 -20.05 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 125.231 1.413 . . . . 0.0 110.642 173.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -53.85 -28.85 38.44 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 119.912 -1.743 . . . . 0.0 112.38 167.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.76 -18.96 60.4 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 117.752 -1.118 . . . . 0.0 112.268 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.1 p -123.81 -15.16 7.03 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.11 0.964 . . . . 0.0 112.19 -168.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -141.77 153.85 44.84 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.168 0.987 . . . . 0.0 109.516 168.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -98.31 -16.52 19.33 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.717 0.807 . . . . 0.0 112.115 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.92 162.48 20.41 Favored Pre-proline 0 CA--C 1.538 0.507 0 C-N-CA 126.809 2.044 . . . . 0.0 108.135 -173.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -62.95 171.58 5.89 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.941 2.427 . . . . 0.0 111.206 169.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -54.31 152.57 6.2 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 122.764 1.269 . . . . 0.0 113.565 174.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.38 160.51 13.25 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.564 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -142.04 168.67 19.19 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.267 1.427 . . . . 0.0 109.504 171.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -58.88 144.96 42.84 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 123.71 0.631 . . . . 0.0 110.749 173.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.4 m -76.03 -32.11 59.19 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.422 0.689 . . . . 0.0 111.914 -176.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -148.46 65.85 8.81 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 124.84 1.256 . . . . 0.0 110.623 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -64.02 156.8 56.58 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 122.359 2.04 . . . . 0.0 110.666 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -158.48 -29.43 0.07 Allowed 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.924 0.89 . . . . 0.0 112.982 174.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -138.14 160.56 63.72 Favored Pre-proline 0 CA--C 1.531 0.247 0 C-N-CA 125.993 1.717 . . . . 0.0 108.014 174.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -54.38 161.21 5.76 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.3 2.666 . . . . 0.0 111.731 168.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -112.48 7.36 18.99 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.511 0.724 . . . . 0.0 112.406 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.53 162.7 4.73 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.608 0.763 . . . . 0.0 111.717 167.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.87 122.7 12.12 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.829 0.852 . . . . 0.0 110.916 173.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -137.76 -131.06 0.13 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.879 2.072 . . . . 0.0 105.573 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 30.7 m -54.11 -23.41 9.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 120.397 1.453 . . . . 0.0 113.398 168.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.3 p -48.83 -30.95 6.34 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 166.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -60.12 -18.04 44.5 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.477 1.111 . . . . 0.0 113.388 172.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -117.58 3.56 12.4 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.92 1.288 . . . . 0.0 110.689 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.3 1.45 9.49 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.142 -1.599 . . . . 0.0 114.197 174.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.9 m -72.33 20.01 0.07 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.996 2.519 . . . . 0.0 114.272 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.0 p -57.19 159.72 7.7 Favored Pre-proline 0 CA--C 1.547 0.846 0 O-C-N 120.525 -1.359 . . . . 0.0 112.34 170.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -47.4 127.0 12.77 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 124.033 3.156 . . . . 0.0 112.3 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -159.97 170.35 21.54 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 124.808 1.243 . . . . 0.0 110.171 -169.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -166.22 159.91 33.31 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 109.214 -1.554 . . . . 0.0 109.214 170.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -147.19 162.87 38.01 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.274 1.43 . . . . 0.0 108.52 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -146.18 133.83 21.03 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.88 1.272 . . . . 0.0 108.223 172.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.0 p -138.55 21.09 2.72 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.52 1.528 . . . . 0.0 111.4 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.0 tp -69.0 -35.45 76.71 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -170.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -71.57 157.73 37.48 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 122.623 1.201 . . . . 0.0 111.227 -175.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -58.14 129.42 41.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.351 -0.84 . . . . 0.0 108.856 170.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -57.42 -26.03 60.52 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 117.137 -1.411 . . . . 0.0 113.04 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.6 tp -60.44 -9.3 3.45 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.157 1.383 . . . . 0.0 114.65 170.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -130.92 -32.79 1.61 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.309 1.043 . . . . 0.0 111.293 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -70.91 -30.63 67.02 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.257 -0.902 . . . . 0.0 111.868 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 82.3 m95 39.09 58.76 1.78 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.266 1.827 . . . . 0.0 113.065 175.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 46.1 pt -74.94 27.79 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 C-N-CA 124.463 1.105 . . . . 0.0 113.342 172.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -63.74 139.4 58.76 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.509 0.724 . . . . 0.0 110.326 177.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 66.9 mtt -48.79 110.55 0.36 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.893 1.277 . . . . 0.0 112.101 -169.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.9 m 56.53 22.1 6.29 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.873 1.669 . . . . 0.0 113.598 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -67.6 -17.12 64.51 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -144.77 160.2 41.63 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.448 1.099 . . . . 0.0 108.998 168.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -64.22 -32.95 74.74 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 118.86 -0.59 . . . . 0.0 112.518 171.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -84.12 34.07 0.5 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 123.289 1.519 . . . . 0.0 111.08 -177.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.67 142.95 51.53 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 119.209 -2.182 . . . . 0.0 109.198 166.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 26.6 pt -57.36 140.85 15.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 124.907 1.283 . . . . 0.0 111.556 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -165.87 166.15 17.76 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 126.97 2.108 . . . . 0.0 108.17 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt . . . . . 0 C--O 1.249 1.069 0 CA-C-O 116.083 -1.913 . . . . 0.0 110.229 174.845 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.2 mmm . . . . . 0 N--CA 1.474 0.766 0 CA-C-O 117.891 -1.052 . . . . 0.0 108.682 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.88 167.49 27.36 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 125.565 1.546 . . . . 0.0 108.362 172.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.46 158.21 18.32 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 122.047 0.927 . . . . 0.0 110.668 172.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -78.24 6.17 8.76 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.252 1.205 . . . . 0.0 114.252 173.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -129.28 162.4 27.99 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.308 1.443 . . . . 0.0 108.225 168.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -141.78 161.95 36.68 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.879 1.272 . . . . 0.0 110.738 -173.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.7 t -52.6 132.74 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 125.001 1.32 . . . . 0.0 110.758 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.0 -18.31 56.35 Favored Glycine 0 CA--C 1.527 0.817 0 CA-C-O 117.92 -1.489 . . . . 0.0 112.882 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.3 m -64.24 159.03 21.65 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.364 1.582 . . . . 0.0 110.202 169.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.9 t -115.15 140.47 36.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 168.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -143.56 176.98 8.79 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.668 1.587 . . . . 0.0 107.932 -177.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -136.74 146.23 45.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -175.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.04 -172.75 28.78 Favored Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.34 125.52 38.9 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -174.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.5 t -66.15 127.42 27.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 C-N-CA 123.99 0.916 . . . . 0.0 108.748 -174.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -110.09 -12.48 14.51 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 126.11 1.764 . . . . 0.0 112.314 -173.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.79 169.25 41.9 Favored Glycine 0 C--N 1.333 0.387 0 CA-C-N 119.876 1.217 . . . . 0.0 110.848 171.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.7 mt -132.86 148.71 52.3 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 124.995 1.318 . . . . 0.0 107.928 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -146.54 163.58 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 126.594 1.958 . . . . 0.0 107.7 177.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.36 -4.99 2.1 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -127.7 0.75 6.12 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.5 179.53 41.39 Favored Glycine 0 C--N 1.34 0.775 0 CA-C-N 120.241 1.382 . . . . 0.0 114.107 174.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.13 121.09 31.85 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 126.412 1.885 . . . . 0.0 108.505 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -74.56 143.94 44.23 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 t -139.45 115.02 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.66 141.06 48.28 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 165.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.0 mt -123.7 -31.75 3.41 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.195 0.998 . . . . 0.0 110.205 -171.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -159.96 165.91 31.1 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 126.653 1.981 . . . . 0.0 106.555 177.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.49 -18.09 6.5 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 173.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -132.12 24.85 4.57 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.434 1.094 . . . . 0.0 111.054 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 m -145.84 135.53 23.32 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.387 -1.445 . . . . 0.0 110.175 171.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -156.08 151.88 27.33 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 126.13 1.772 . . . . 0.0 106.821 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.32 -172.11 21.22 Favored Glycine 0 CA--C 1.523 0.568 0 CA-C-N 118.319 0.509 . . . . 0.0 112.431 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.8 tp -135.0 109.98 8.78 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.39 1.476 . . . . 0.0 107.413 -168.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.5 t -70.93 119.64 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 164.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -74.64 147.57 41.45 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.668 1.122 . . . . 0.0 109.023 173.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.1 tt -56.27 -36.48 46.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 O-C-N 121.096 -1.003 . . . . 0.0 112.13 -174.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 m -66.79 -4.59 9.49 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.186 1.395 . . . . 0.0 113.224 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -119.86 1.88 11.01 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.114 1.765 . . . . 0.0 110.46 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t -77.29 -33.14 19.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 119.575 1.079 . . . . 0.0 110.83 176.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 t -151.53 156.46 40.58 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.292 1.037 . . . . 0.0 108.223 172.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -77.94 -16.12 58.44 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.9 0.88 . . . . 0.0 112.842 166.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.84 177.88 49.28 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-N 119.156 0.889 . . . . 0.0 112.155 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -65.59 101.98 0.67 Allowed 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 168.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.5 p -65.64 100.58 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 125.331 1.452 . . . . 0.0 109.002 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -66.47 -49.01 68.06 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.676 -0.64 . . . . 0.0 109.916 -170.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -158.12 144.76 17.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 104.439 -2.43 . . . . 0.0 104.439 168.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.1 tt -54.91 -36.42 37.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -172.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -18.43 64.45 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.361 0.982 . . . . 0.0 113.585 178.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -80.53 -11.46 59.66 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 118.615 0.643 . . . . 0.0 111.514 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -133.1 -11.92 2.88 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 120.78 -1.2 . . . . 0.0 113.459 -169.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 tp -146.45 175.86 10.24 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.522 1.529 . . . . 0.0 109.131 168.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.9 m -145.91 134.5 22.13 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.534 1.134 . . . . 0.0 108.518 -174.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.8 p -66.74 153.42 8.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 O-C-N 121.034 -1.041 . . . . 0.0 110.209 165.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.82 31.11 75.07 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.101 175.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -127.68 160.34 31.96 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 123.994 0.918 . . . . 0.0 108.551 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -92.32 138.74 31.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.725 1.21 . . . . 0.0 109.26 173.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.3 m -141.71 150.05 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 124.664 1.186 . . . . 0.0 108.752 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -108.18 127.9 54.23 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.0 m -124.14 149.12 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 126.219 1.807 . . . . 0.0 109.904 -168.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -98.17 132.74 43.43 Favored 'General case' 0 C--O 1.227 -0.119 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 164.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.47 138.44 23.1 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 65.7 tp -124.49 -31.58 3.24 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 125.026 1.331 . . . . 0.0 111.44 -172.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.92 158.9 41.4 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 168.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.5 t -135.02 134.02 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 168.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -146.99 91.75 2.04 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -70.22 -22.94 62.86 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.914 0.886 . . . . 0.0 112.208 -177.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -71.78 -42.6 66.92 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.305 0.957 . . . . 0.0 109.966 174.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -67.35 -27.89 67.5 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.128 -0.982 . . . . 0.0 111.237 168.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.48 36.91 32.55 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 125.43 1.49 . . . . 0.0 111.477 -176.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -139.87 164.97 28.55 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 118.828 1.314 . . . . 0.0 111.297 -173.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.0 mt -137.74 124.44 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.5 m -84.65 147.4 26.97 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 118.587 0.63 . . . . 0.0 109.527 167.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.9 mt -133.6 167.23 20.86 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 125.397 1.479 . . . . 0.0 108.249 -173.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.4 p -144.15 152.61 41.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.413 0.685 . . . . 0.0 110.402 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.3 mm -128.55 -31.53 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 126.083 1.753 . . . . 0.0 109.757 -174.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -56.58 -25.79 53.49 Favored 'General case' 0 C--O 1.223 -0.336 0 O-C-N 120.097 -1.627 . . . . 0.0 112.248 167.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.4 -22.18 63.72 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 173.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.7 p -117.7 -27.17 6.33 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.569 1.077 . . . . 0.0 111.872 -169.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -61.77 159.35 13.81 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.87 0.868 . . . . 0.0 110.618 170.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.08 157.69 43.65 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.996 1.718 . . . . 0.0 108.268 170.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.1 146.96 95.36 Favored Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 123.041 0.536 . . . . 0.0 111.055 172.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -69.8 164.86 33.0 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.673 2.249 . . . . 0.0 110.874 172.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -61.71 149.16 40.46 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 121.274 0.559 . . . . 0.0 110.195 167.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.74 57.99 1.06 Allowed 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.707 1.203 . . . . 0.0 111.374 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -52.4 -27.67 16.72 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 117.741 -1.123 . . . . 0.0 113.053 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -70.08 -20.41 63.22 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.612 0.765 . . . . 0.0 112.709 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -142.32 -24.76 0.66 Allowed 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -167.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.27 -55.0 22.06 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-O 116.76 -1.591 . . . . 0.0 113.263 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.46 152.56 81.14 Favored 'Trans proline' 0 C--N 1.351 0.71 0 CA-C-N 121.701 1.643 . . . . 0.0 110.457 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -91.47 -23.82 19.87 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 121.978 -0.451 . . . . 0.0 111.921 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -149.44 140.22 13.98 Favored Pre-proline 0 CA--C 1.534 0.332 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.05 159.87 8.98 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.339 2.026 . . . . 0.0 112.228 170.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -146.31 149.63 34.19 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.76 1.224 . . . . 0.0 107.724 171.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.47 154.52 20.5 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.969 0.508 . . . . 0.0 110.979 175.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.07 120.61 11.18 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 167.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -147.09 169.79 18.52 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.833 1.653 . . . . 0.0 108.295 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 35.7 m -57.8 168.59 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.219 1.008 . . . . 0.0 112.113 165.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.5 m -49.43 140.69 10.06 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.025 1.33 . . . . 0.0 111.317 177.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -152.18 155.75 38.42 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 125.031 1.332 . . . . 0.0 107.895 -171.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -144.68 1.0 1.01 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.843 1.657 . . . . 0.0 112.94 -173.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -136.94 158.48 44.37 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.03 1.332 . . . . 0.0 109.512 170.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.7 m 47.32 36.54 4.88 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 121.838 0.828 . . . . 0.0 111.998 -170.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.64 162.19 74.45 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 127.409 2.284 . . . . 0.0 111.752 -176.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.49 -23.07 32.42 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.594 2.196 . . . . 0.0 112.312 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -73.27 4.45 4.56 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.089 0.955 . . . . 0.0 113.349 169.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 109.24 169.94 20.56 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 125.29 1.424 . . . . 0.0 110.699 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -57.89 152.78 15.34 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 117.373 0.586 . . . . 0.0 111.233 169.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -144.63 131.65 20.4 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.249 1.42 . . . . 0.0 107.578 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.3 p -71.53 175.09 5.84 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.558 1.543 . . . . 0.0 112.313 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 64.7 tp -139.59 141.93 37.13 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 124.798 1.239 . . . . 0.0 107.976 172.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -140.49 162.59 34.97 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 125.351 1.461 . . . . 0.0 107.989 175.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -56.86 -28.61 61.95 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.608 1.163 . . . . 0.0 113.314 -173.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -126.03 20.34 7.61 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.932 0.893 . . . . 0.0 111.608 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.27 105.28 1.08 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 165.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.85 171.29 20.31 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.608 1.563 . . . . 0.0 106.965 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.97 -15.96 26.37 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.697 1.599 . . . . 0.0 113.892 -169.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -64.54 -21.48 66.7 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 171.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 7.1 pt -67.37 166.91 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 119.884 1.22 . . . . 0.0 111.389 176.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.35 142.68 39.67 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 168.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 76.4 mtm -149.9 144.92 26.21 Favored 'General case' 0 C--O 1.226 -0.179 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 40.9 m -63.5 -19.01 64.4 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 119.996 -1.69 . . . . 0.0 114.034 174.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -68.12 -33.71 75.01 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.395 0.998 . . . . 0.0 113.217 166.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -80.56 -30.61 37.02 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.267 1.427 . . . . 0.0 111.825 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -50.39 142.43 10.37 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.679 1.127 . . . . 0.0 110.71 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.09 -43.07 99.45 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.478 0.486 . . . . 0.0 110.515 169.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.25 69.98 4.54 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 165.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 19.9 tt -57.72 137.31 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 C-N-CA 124.499 1.119 . . . . 0.0 110.343 -175.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 27.5 tptt -148.94 141.39 24.26 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 107.948 -1.131 . . . . 0.0 107.948 173.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt . . . . . 0 C--O 1.259 1.584 0 C-N-CA 127.221 2.209 . . . . 0.0 107.268 170.757 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 C--O 1.215 -0.711 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 47.0 37.95 5.68 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.681 1.592 . . . . 0.0 113.667 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.9 156.37 33.63 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.138 0.575 . . . . 0.0 111.355 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -69.53 -15.03 63.16 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.439 0.696 . . . . 0.0 112.747 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -138.16 150.49 46.84 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.066 1.347 . . . . 0.0 107.806 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -144.64 149.51 35.82 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.989 1.316 . . . . 0.0 107.631 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.8 m -53.72 135.66 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 121.845 0.831 . . . . 0.0 110.909 -177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.16 -10.53 68.37 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-O 118.174 -1.348 . . . . 0.0 113.773 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 m -65.55 165.53 12.08 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 119.198 1.499 . . . . 0.0 110.274 169.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.6 t -141.25 130.94 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -140.75 -174.81 4.08 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.127 1.371 . . . . 0.0 109.595 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.0 m -123.62 147.28 47.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.37 -178.58 31.56 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 -172.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.07 122.29 31.78 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -171.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.03 122.25 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.29 -15.94 14.9 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 125.11 1.364 . . . . 0.0 112.558 -173.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.42 164.95 35.59 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 119.645 1.111 . . . . 0.0 111.081 173.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.8 mt -118.49 143.22 46.87 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 173.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -135.25 158.26 44.82 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 126.196 1.799 . . . . 0.0 107.984 -170.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.31 -1.56 0.78 Allowed 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -139.36 9.03 2.47 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 126.808 2.043 . . . . 0.0 112.364 -173.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.52 -167.49 33.55 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 120.179 1.354 . . . . 0.0 113.55 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.91 134.31 40.53 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 124.647 1.179 . . . . 0.0 109.672 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -79.24 142.29 36.35 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 174.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.95 115.08 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.09 140.89 57.61 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 169.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.6 mt -118.9 -32.69 4.42 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.819 1.248 . . . . 0.0 110.501 -169.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -154.81 170.09 22.45 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 125.941 1.696 . . . . 0.0 107.581 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.25 -13.19 16.77 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -175.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -135.94 20.02 3.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.905 1.282 . . . . 0.0 111.604 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.0 m -143.53 138.68 29.32 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.196 -1.565 . . . . 0.0 110.453 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -153.55 144.45 22.76 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 125.361 1.464 . . . . 0.0 107.128 -173.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.64 -178.5 15.7 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 124.025 0.821 . . . . 0.0 111.15 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.1 tp -133.25 114.34 13.68 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.619 1.167 . . . . 0.0 108.312 -169.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -80.36 118.11 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 166.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -72.72 148.03 45.06 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 121.329 0.585 . . . . 0.0 109.828 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.8 tt -52.19 -34.38 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.2 1.4 . . . . 0.0 113.298 -172.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -62.53 -15.46 50.68 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 124.624 1.169 . . . . 0.0 113.35 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -120.52 11.87 11.44 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.286 1.434 . . . . 0.0 111.053 -175.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.6 t -78.78 -29.16 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 O-C-N 120.538 -1.351 . . . . 0.0 111.557 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 t -164.39 161.49 21.62 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.945 1.298 . . . . 0.0 109.236 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -75.08 -22.5 58.28 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.37 0.668 . . . . 0.0 111.357 167.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.18 173.69 50.51 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 123.545 0.593 . . . . 0.0 111.938 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -64.71 148.21 51.54 Favored 'General case' 0 C--O 1.223 -0.296 0 O-C-N 121.738 -0.86 . . . . 0.0 110.22 168.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 p -152.77 69.86 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -59.26 -23.79 62.67 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -174.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -143.69 147.71 34.66 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 168.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.4 tp -51.81 -35.31 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-O 117.957 -1.02 . . . . 0.0 112.712 -174.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -17.56 64.62 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -176.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -71.03 -8.41 53.14 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.109 0.564 . . . . 0.0 112.037 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -142.5 -173.11 3.77 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.566 1.546 . . . . 0.0 109.576 170.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.546 ' HG ' ' H ' ' A' ' 53' ' ' SER . 5.3 tp 54.64 -169.62 0.07 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.9 1.68 . . . . 0.0 111.965 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.546 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 8.4 m -145.2 165.77 27.38 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 127.707 2.403 . . . . 0.0 106.435 173.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -121.62 152.23 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.778 1.231 . . . . 0.0 109.452 172.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.08 39.0 96.5 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -174.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -137.58 163.08 32.08 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.271 1.028 . . . . 0.0 108.761 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -93.03 139.48 30.49 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 124.487 1.115 . . . . 0.0 109.299 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.0 m -143.23 146.79 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 125.893 1.677 . . . . 0.0 109.03 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -88.48 137.63 32.15 Favored 'General case' 0 C--N 1.335 -0.061 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 167.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -133.49 133.12 57.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 125.658 1.583 . . . . 0.0 108.847 -169.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.06 137.48 32.31 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 169.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.52 112.28 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 169.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.4 tp -87.96 -40.06 14.22 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 123.952 0.901 . . . . 0.0 110.809 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.3 164.35 38.43 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.122 1.369 . . . . 0.0 109.495 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.2 p -136.82 148.88 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.278 1.431 . . . . 0.0 108.099 168.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -137.19 78.19 1.68 Allowed 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 125.498 1.519 . . . . 0.0 108.542 -169.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -56.55 -29.82 62.41 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.976 1.31 . . . . 0.0 111.962 -175.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -65.54 -14.24 60.65 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.591 0.756 . . . . 0.0 112.922 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -126.36 -9.98 6.36 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.877 1.271 . . . . 0.0 111.828 173.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.61 40.04 90.59 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -174.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -122.28 165.4 16.29 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.429 1.092 . . . . 0.0 110.632 -175.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 82.3 mt -138.29 141.84 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -173.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.8 m -108.97 149.83 28.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 168.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.5 mt -131.94 168.89 17.11 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.068 0.947 . . . . 0.0 109.657 -168.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 p -142.22 152.1 42.76 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.168 0.987 . . . . 0.0 110.093 172.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 23.5 mm -123.68 -32.38 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.348 1.859 . . . . 0.0 109.886 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -55.57 -25.75 39.75 Favored 'General case' 0 C--O 1.223 -0.334 0 O-C-N 120.466 -1.396 . . . . 0.0 112.414 169.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.07 -20.67 60.92 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.4 p -116.52 -21.85 8.99 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.385 0.993 . . . . 0.0 112.645 -169.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -56.5 150.06 15.97 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.884 0.849 . . . . 0.0 110.462 171.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.96 19.29 4.56 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.01 1.724 . . . . 0.0 111.079 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.99 161.36 37.27 Favored Pre-proline 0 CA--C 1.535 0.396 0 C-N-CA 127.405 2.282 . . . . 0.0 107.922 176.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -53.91 -34.86 78.08 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.049 2.499 . . . . 0.0 113.823 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -145.58 165.6 28.2 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 125.404 1.482 . . . . 0.0 107.619 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -68.6 74.21 0.26 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.733 1.613 . . . . 0.0 109.456 170.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -59.49 146.98 38.39 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 169.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.26 158.06 24.27 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.385 0.612 . . . . 0.0 110.442 171.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.5 m -57.3 150.21 18.55 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.914 0.886 . . . . 0.0 111.519 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.23 150.82 70.19 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-O 118.927 -0.559 . . . . 0.0 109.863 173.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -64.79 160.71 39.4 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.347 2.031 . . . . 0.0 109.6 169.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.54 2.37 3.21 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -175.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -62.09 138.6 95.92 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 168.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.27 143.0 82.07 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 121.354 1.37 . . . . 0.0 108.993 169.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -70.76 -38.88 73.49 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 122.073 -0.392 . . . . 0.0 110.416 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.76 161.3 30.06 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.27 0.628 . . . . 0.0 110.663 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.08 59.56 0.53 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.217 1.407 . . . . 0.0 109.64 166.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -80.62 -15.44 56.58 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.841 1.256 . . . . 0.0 111.287 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . 0.291 21.4 m 48.88 38.27 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 126.471 1.908 . . . . 0.0 112.904 175.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 m -76.91 29.28 0.13 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.078 1.751 . . . . 0.0 113.448 -175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -136.62 179.57 6.29 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.587 1.555 . . . . 0.0 109.468 -177.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.88 -6.4 21.57 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.391 1.076 . . . . 0.0 112.836 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -144.68 171.35 14.51 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 126.521 1.928 . . . . 0.0 109.214 176.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.2 m -78.0 32.69 0.18 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.078 1.351 . . . . 0.0 112.088 174.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -54.51 41.83 Favored Pre-proline 0 CA--C 1.539 0.521 0 C-N-CA 125.625 1.57 . . . . 0.0 113.754 -178.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.12 135.74 25.67 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 CA-C-N 121.899 1.714 . . . . 0.0 109.635 173.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -141.91 152.98 44.07 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.271 1.428 . . . . 0.0 108.508 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 160.84 -159.57 31.14 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 -171.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -58.19 162.16 3.71 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.408 0.683 . . . . 0.0 111.064 168.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -151.01 155.16 38.46 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.826 1.25 . . . . 0.0 107.68 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.7 p -54.94 -33.66 62.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.5 tp -66.91 -47.71 70.91 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 119.774 1.17 . . . . 0.0 111.043 172.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.79 -30.31 65.58 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.37 0.532 . . . . 0.0 111.567 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.73 -17.25 61.63 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 177.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -137.01 -9.71 1.77 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 -169.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -59.47 169.25 1.3 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.197 1.362 . . . . 0.0 112.516 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -129.07 -2.09 5.15 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.445 0.698 . . . . 0.0 111.698 -177.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.72 -21.07 64.18 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.092 -1.005 . . . . 0.0 113.131 -172.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -59.17 -15.78 16.61 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.985 1.314 . . . . 0.0 114.134 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.2 pp -67.78 -14.41 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 120.008 1.277 . . . . 0.0 113.552 170.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -59.02 137.36 57.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 119.288 0.949 . . . . 0.0 109.731 175.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 26.4 mmt -54.41 -34.69 61.83 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.794 0.838 . . . . 0.0 112.876 -171.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.0 m -55.06 -20.41 9.52 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.728 1.611 . . . . 0.0 113.933 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -118.02 -35.08 3.95 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.186 1.394 . . . . 0.0 111.732 172.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -52.81 -30.27 32.36 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.734 1.214 . . . . 0.0 112.308 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -45.58 -24.34 0.33 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.342 1.457 . . . . 0.0 114.646 173.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -62.19 -16.56 53.89 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 175.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -55.04 157.63 3.23 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 122.829 1.299 . . . . 0.0 113.558 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 21.4 tt -151.82 153.91 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.208 1.803 . . . . 0.0 107.969 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.33 161.2 42.02 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.22 1.408 . . . . 0.0 110.513 175.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 62.1 tttp . . . . . 0 C--O 1.243 0.719 0 CA-C-O 116.95 -1.5 . . . . 0.0 109.515 176.425 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.468 0.469 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.72 22.72 3.11 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.103 1.361 . . . . 0.0 110.767 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -148.38 172.69 14.02 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 127.001 2.12 . . . . 0.0 107.913 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -65.31 -12.56 53.03 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -138.81 158.85 43.47 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.854 1.261 . . . . 0.0 108.354 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -148.4 149.79 32.37 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.11 1.764 . . . . 0.0 107.294 170.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.0 m -45.38 132.36 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 124.488 1.115 . . . . 0.0 112.102 172.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.8 -13.4 64.46 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-O 117.61 -1.661 . . . . 0.0 113.797 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 m -65.06 164.18 13.41 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.929 1.364 . . . . 0.0 110.697 171.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.1 t -137.52 128.49 39.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -142.67 175.13 10.04 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.798 1.239 . . . . 0.0 109.592 -178.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -119.08 143.24 47.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.972 0.909 . . . . 0.0 108.552 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.57 -175.42 24.1 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 124.778 1.18 . . . . 0.0 110.628 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -124.95 135.68 53.05 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 124.138 0.975 . . . . 0.0 109.906 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 t -73.5 126.08 33.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -175.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -118.52 -7.82 10.56 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 125.045 1.338 . . . . 0.0 112.012 -168.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.47 167.94 40.74 Favored Glycine 0 C--N 1.333 0.404 0 CA-C-N 119.502 1.046 . . . . 0.0 110.574 170.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -137.05 148.21 46.65 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 124.659 1.183 . . . . 0.0 107.814 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -149.11 155.6 40.94 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 127.379 2.271 . . . . 0.0 106.324 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.95 2.01 0.81 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 172.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -125.33 0.31 7.7 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.406 1.482 . . . . 0.0 113.9 173.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.24 177.97 38.65 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-N 120.27 1.395 . . . . 0.0 114.486 173.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.62 118.31 27.86 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 126.353 1.861 . . . . 0.0 107.863 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -71.15 139.66 50.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 173.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.1 t -136.16 111.54 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.16 131.7 46.32 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.289 0.636 . . . . 0.0 109.32 168.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.6 mt -106.6 -28.23 10.37 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 124.454 1.102 . . . . 0.0 110.688 -168.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -144.8 21.03 1.64 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.612 0.765 . . . . 0.0 110.062 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 62.62 -11.48 0.08 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 128.823 2.849 . . . . 0.0 114.795 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -134.94 15.51 3.56 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.833 2.053 . . . . 0.0 109.331 176.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 m -147.93 147.39 29.65 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 171.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -150.71 154.91 38.27 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 124.384 1.074 . . . . 0.0 109.576 -168.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.05 -175.65 14.16 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 169.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.3 tp -133.67 106.16 7.23 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.188 0.995 . . . . 0.0 108.482 -169.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.7 t -63.26 114.57 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 165.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -71.98 143.94 49.04 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 174.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.8 tt -54.22 -42.58 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -169.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -61.08 -27.31 68.26 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.508 -0.745 . . . . 0.0 112.071 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -90.1 0.92 56.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.451 1.501 . . . . 0.0 111.701 -177.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.0 t -72.02 -31.82 41.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 119.709 1.141 . . . . 0.0 111.21 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.9 m -152.81 148.8 27.62 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 -172.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -76.35 37.18 0.16 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.425 1.89 . . . . 0.0 112.522 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 176.89 -158.65 24.65 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -169.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -51.8 150.83 3.78 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.344 1.057 . . . . 0.0 112.022 177.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -152.52 54.39 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 126.201 1.8 . . . . 0.0 107.514 -176.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -50.62 -35.45 30.43 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -171.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -147.62 131.37 16.97 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 168.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.7 tt -62.14 -32.47 54.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-O 117.861 -1.066 . . . . 0.0 113.256 -172.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -13.6 62.08 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.78 1.173 . . . . 0.0 113.864 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -89.58 1.92 55.35 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.246 0.619 . . . . 0.0 112.153 172.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -135.98 -20.85 1.47 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.671 1.189 . . . . 0.0 113.13 -171.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 tp -146.3 -179.99 7.12 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.263 1.825 . . . . 0.0 108.498 168.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.0 m -146.96 133.48 19.77 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -174.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.49 152.76 9.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 O-C-N 121.278 -0.888 . . . . 0.0 110.617 169.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.94 31.67 81.69 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-O 119.257 -0.746 . . . . 0.0 112.003 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -125.12 160.21 29.64 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -98.0 135.25 39.98 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 124.543 1.137 . . . . 0.0 109.302 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.4 m -142.46 147.0 21.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 124.519 1.127 . . . . 0.0 108.57 -173.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.435 ' NE2' ' H ' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -98.54 132.51 43.9 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.55 0.74 . . . . 0.0 109.439 169.472 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 m -129.0 147.4 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 126.552 1.941 . . . . 0.0 109.309 -167.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -99.4 129.23 45.58 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 167.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.95 126.91 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 124.236 1.014 . . . . 0.0 108.753 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.2 tp -112.38 -32.02 6.63 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 124.392 1.077 . . . . 0.0 111.289 -173.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.07 157.72 42.01 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.398 1.079 . . . . 0.0 108.657 171.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 65.4 t -136.43 132.71 49.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 169.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -146.61 84.48 1.62 Allowed 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 176.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.03 -17.64 63.93 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.876 0.871 . . . . 0.0 112.76 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -71.07 -46.98 60.91 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.256 0.934 . . . . 0.0 109.682 173.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -68.96 -24.01 64.2 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.324 -0.86 . . . . 0.0 111.608 167.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.82 40.64 8.67 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 124.517 1.056 . . . . 0.0 111.648 177.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -144.49 169.01 18.78 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 122.383 1.087 . . . . 0.0 112.422 -173.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.2 mt -139.66 135.27 39.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.8 m -98.71 150.66 21.58 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 121.468 -0.77 . . . . 0.0 109.212 167.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.4 mt -135.62 171.03 15.04 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 124.594 1.158 . . . . 0.0 109.143 -170.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.5 p -145.9 151.33 37.69 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.197 0.999 . . . . 0.0 110.106 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 21.6 mm -122.22 -26.65 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 126.411 1.884 . . . . 0.0 110.414 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -55.47 -24.58 31.92 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 120.259 1.39 . . . . 0.0 112.694 167.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.32 -21.54 56.07 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 117.82 -1.086 . . . . 0.0 113.795 174.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.5 p -120.03 -19.69 7.73 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.361 0.982 . . . . 0.0 112.634 -168.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -139.43 172.79 12.3 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.507 1.523 . . . . 0.0 109.261 -174.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -142.47 166.11 25.56 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.47 1.508 . . . . 0.0 110.263 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.6 151.49 46.8 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 124.61 1.164 . . . . 0.0 109.903 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -71.56 168.82 22.53 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.824 2.349 . . . . 0.0 111.09 174.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.87 148.47 30.03 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.742 0.782 . . . . 0.0 110.492 167.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.99 123.98 36.11 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 172.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -95.1 -4.12 46.85 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 118.556 -0.735 . . . . 0.0 112.551 -171.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.52 158.98 13.79 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 124.496 1.118 . . . . 0.0 110.728 172.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.2 m -61.23 162.18 7.89 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.858 1.263 . . . . 0.0 111.924 172.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -133.88 151.73 77.4 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 124.652 1.181 . . . . 0.0 109.104 177.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -67.74 166.94 22.58 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.336 2.024 . . . . 0.0 110.232 171.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -57.66 -34.21 69.12 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -153.47 144.68 16.28 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 170.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -52.65 -31.63 50.95 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.139 2.559 . . . . 0.0 114.197 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -56.54 -18.27 11.17 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 175.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.71 -21.22 26.32 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 171.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.69 40.83 0.07 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.109 1.364 . . . . 0.0 113.118 172.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -142.55 -177.34 5.24 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.303 2.241 . . . . 0.0 108.861 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.1 m -124.86 -162.76 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.414 1.485 . . . . 0.0 109.081 173.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.9 m -62.31 -3.06 1.18 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.034 1.334 . . . . 0.0 114.419 177.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -147.31 167.58 23.94 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 127.634 2.373 . . . . 0.0 106.365 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -50.59 128.55 20.59 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.66 0.743 . . . . 0.0 110.092 169.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.31 16.7 0.43 Allowed 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -175.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.8 m 49.71 42.36 23.39 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.026 1.33 . . . . 0.0 110.979 -170.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -44.78 99.1 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.387 1.475 . . . . 0.0 114.578 -174.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -58.33 152.77 51.44 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.439 2.092 . . . . 0.0 112.281 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -152.86 168.97 24.01 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 124.57 1.148 . . . . 0.0 109.974 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -83.56 -170.42 46.36 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-O 121.525 0.514 . . . . 0.0 111.854 167.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -144.87 158.28 43.85 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.09 1.356 . . . . 0.0 108.739 175.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -45.12 -47.03 12.15 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.2 1.4 . . . . 0.0 113.012 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.4 m 59.31 -81.91 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.037 1.735 . . . . 0.0 111.014 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.0 mt -140.95 7.79 2.06 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.232 1.413 . . . . 0.0 112.31 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -57.54 -34.43 69.14 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.342 0.974 . . . . 0.0 111.75 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -141.77 168.51 19.59 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 126.988 2.115 . . . . 0.0 107.145 168.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -141.53 156.99 45.68 Favored 'General case' 0 C--O 1.225 -0.208 0 O-C-N 120.695 -1.253 . . . . 0.0 111.053 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 59.7 mt -148.22 169.63 19.64 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.223 2.209 . . . . 0.0 107.286 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.34 -41.61 85.0 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.785 0.803 . . . . 0.0 110.337 172.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -151.98 145.79 25.1 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 166.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 52.0 t-105 -59.92 -29.4 68.34 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.106 -0.996 . . . . 0.0 113.093 -168.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 30.6 pt -57.5 -22.94 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 176.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -64.07 -9.33 15.65 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.007 0.821 . . . . 0.0 112.791 -177.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -55.89 -26.02 45.32 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.1 -1.0 . . . . 0.0 113.219 167.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.4 m -140.47 -36.25 0.48 Allowed 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.289 1.036 . . . . 0.0 112.448 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -60.23 139.26 57.68 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 124.003 0.921 . . . . 0.0 110.995 174.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -141.42 162.17 36.13 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 125.406 1.482 . . . . 0.0 108.093 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -57.98 146.04 33.94 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 172.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -157.93 149.28 21.39 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 125.249 1.419 . . . . 0.0 108.202 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.7 tp -148.17 146.86 28.9 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.994 1.318 . . . . 0.0 108.462 174.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 44.6 pt -60.41 156.46 3.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 CA-C-O 122.62 1.2 . . . . 0.0 111.883 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -152.69 151.3 30.39 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.602 1.161 . . . . 0.0 108.297 173.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 62.1 pttt . . . . . 0 C--O 1.246 0.889 0 C-N-CA 125.839 1.656 . . . . 0.0 108.406 173.529 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 ttm . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.57 166.17 25.92 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.984 1.314 . . . . 0.0 109.236 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.5 173.93 13.51 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 125.216 1.406 . . . . 0.0 109.559 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -64.61 -14.9 60.01 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.355 1.062 . . . . 0.0 113.21 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -137.6 164.88 27.69 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 125.997 1.719 . . . . 0.0 107.783 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -146.98 148.5 31.78 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.343 1.057 . . . . 0.0 108.281 176.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.1 m -48.55 136.07 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 125.173 1.389 . . . . 0.0 111.499 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.95 -9.4 63.24 Favored Glycine 0 CA--C 1.533 1.16 0 CA-C-O 118.089 -1.395 . . . . 0.0 113.626 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 m -65.63 167.07 9.61 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 119.216 1.508 . . . . 0.0 110.339 169.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.7 t -140.11 127.98 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -142.34 170.29 15.99 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 124.227 1.011 . . . . 0.0 109.765 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 m -115.95 144.33 44.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.79 -174.65 25.87 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -173.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -126.9 136.96 53.03 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 123.508 0.723 . . . . 0.0 109.96 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.9 t -73.55 124.22 30.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -172.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -108.75 -9.6 15.22 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.923 1.289 . . . . 0.0 112.534 -173.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.59 165.12 36.34 Favored Glycine 0 C--N 1.334 0.471 0 CA-C-N 119.315 0.961 . . . . 0.0 110.947 169.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.8 mt -122.64 157.41 32.25 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 124.535 1.134 . . . . 0.0 108.064 169.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -147.97 164.51 33.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 126.191 1.796 . . . . 0.0 107.418 -176.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.06 -10.15 9.26 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 175.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -135.34 7.96 3.38 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.985 1.314 . . . . 0.0 113.729 -174.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.5 178.59 42.74 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-N 119.791 1.178 . . . . 0.0 114.068 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.33 119.43 21.71 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 126.166 1.786 . . . . 0.0 108.091 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -75.35 141.4 43.34 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 176.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.6 t -136.81 113.2 12.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.07 141.38 52.81 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.6 mt -121.52 -30.83 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 124.094 0.957 . . . . 0.0 111.604 -168.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -158.77 162.3 37.07 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 126.503 1.921 . . . . 0.0 107.218 -170.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -57.48 -16.67 10.27 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.44 1.096 . . . . 0.0 113.85 -172.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -131.0 8.84 4.81 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.105 1.362 . . . . 0.0 111.779 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 m -139.4 141.07 37.55 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 120.638 -1.289 . . . . 0.0 111.404 -169.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -147.34 155.84 42.36 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 127.059 2.144 . . . . 0.0 107.305 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.27 -179.47 17.52 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 170.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.4 tp -128.94 113.93 15.82 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 124.203 1.001 . . . . 0.0 108.673 -172.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.1 t -70.21 119.96 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 104.891 -2.262 . . . . 0.0 104.891 167.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -76.48 146.59 38.42 Favored 'General case' 0 CA--C 1.527 0.087 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 172.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.7 tt -52.07 -34.69 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.367 0.667 . . . . 0.0 112.64 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -59.41 -13.74 9.64 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.619 1.568 . . . . 0.0 113.49 177.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -123.85 7.21 8.7 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 125.93 1.692 . . . . 0.0 111.159 -173.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.0 t -77.39 -36.15 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 119.291 0.95 . . . . 0.0 110.685 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.0 m -154.01 144.52 22.34 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -74.23 -36.38 63.92 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.771 -0.58 . . . . 0.0 111.024 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.01 173.03 55.04 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 168.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -61.87 107.58 0.87 Allowed 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 122.899 0.48 . . . . 0.0 110.89 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 p -71.83 83.06 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 124.885 1.274 . . . . 0.0 107.926 167.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -57.29 -30.64 64.89 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -152.34 117.59 5.25 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 169.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.4 tt -53.31 -35.16 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.395 1.078 . . . . 0.0 112.473 175.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -66.81 -6.32 15.66 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.141 0.977 . . . . 0.0 112.793 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -114.13 1.54 14.61 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.81 1.244 . . . . 0.0 111.392 177.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -127.02 -12.5 5.84 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.32 1.448 . . . . 0.0 112.468 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.73 171.45 14.39 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 127.883 2.473 . . . . 0.0 106.433 173.032 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.9 m -158.57 127.73 5.59 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.708 0.803 . . . . 0.0 109.128 -174.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 p -63.78 150.17 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 123.31 0.644 . . . . 0.0 110.203 170.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.01 33.51 65.37 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.731 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -130.29 161.29 31.56 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.921 0.888 . . . . 0.0 108.914 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -94.72 137.28 34.02 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.617 1.167 . . . . 0.0 108.964 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.7 m -142.72 151.2 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.946 1.298 . . . . 0.0 108.718 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -103.57 130.46 50.99 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 171.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.91 146.45 32.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 126.338 1.855 . . . . 0.0 109.585 -169.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.74 137.51 33.73 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 167.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.7 t -68.88 113.16 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 170.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.7 tp -85.05 -43.31 14.04 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 124.042 0.937 . . . . 0.0 110.49 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.63 159.48 40.85 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 125.309 1.443 . . . . 0.0 108.838 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 66.5 t -132.57 138.78 51.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 173.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -141.61 57.75 1.51 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 125.25 1.42 . . . . 0.0 107.586 -176.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -61.48 -19.08 61.63 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.994 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.09 -38.71 87.25 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.076 0.55 . . . . 0.0 110.685 173.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -83.31 -49.37 9.45 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 168.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.18 36.41 0.95 Allowed Glycine 0 CA--C 1.525 0.693 0 C-N-CA 125.182 1.372 . . . . 0.0 111.403 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -134.02 171.57 14.02 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.04 1.42 . . . . 0.0 112.481 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 60.5 mt -140.35 145.51 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 m -110.77 150.6 28.87 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 168.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.5 mt -135.08 166.28 23.43 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.25 1.02 . . . . 0.0 109.351 -168.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 p -140.69 152.95 45.74 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.297 1.039 . . . . 0.0 110.255 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.7 mm -128.51 -33.92 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 126.482 1.913 . . . . 0.0 110.03 -173.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -56.82 -27.96 60.8 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 120.258 1.39 . . . . 0.0 111.714 169.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.8 97.96 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.362 1.065 . . . . 0.0 112.619 172.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.7 p -87.59 -32.89 19.09 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.789 0.722 . . . . 0.0 111.26 -174.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -78.22 9.72 3.57 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.251 1.421 . . . . 0.0 112.483 171.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.28 -8.16 23.2 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.84 154.95 6.54 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 123.72 0.808 . . . . 0.0 111.839 174.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -53.96 -29.03 52.28 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.732 2.955 . . . . 0.0 114.871 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -147.61 156.16 42.53 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.394 1.478 . . . . 0.0 107.919 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.74 -7.43 7.93 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.861 2.064 . . . . 0.0 112.935 -177.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -55.56 156.18 4.9 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.931 0.892 . . . . 0.0 109.336 168.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -140.23 158.51 43.93 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.774 1.23 . . . . 0.0 108.116 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.2 m -67.89 8.33 0.41 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.442 1.897 . . . . 0.0 114.822 -173.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -142.07 149.96 54.16 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 125.825 1.65 . . . . 0.0 108.365 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.79 173.73 10.57 Favored 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 122.91 2.407 . . . . 0.0 111.813 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.1 ttt85 -58.47 -38.77 78.25 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.514 0.725 . . . . 0.0 110.99 170.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -58.26 145.34 74.8 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-O 118.509 -0.758 . . . . 0.0 109.881 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.51 152.49 16.0 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.004 2.47 . . . . 0.0 112.884 173.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -66.98 -27.01 67.09 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 119.143 -0.456 . . . . 0.0 111.574 169.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.64 161.58 5.95 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.852 0.861 . . . . 0.0 111.812 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -147.18 167.57 23.84 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 126.202 1.801 . . . . 0.0 108.967 175.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -57.58 140.69 50.29 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.613 0.365 . . . . 0.0 110.306 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.3 p -140.68 -19.48 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.266 1.027 . . . . 0.0 112.126 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.9 m -58.62 -36.12 73.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.765 0.826 . . . . 0.0 111.749 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -144.23 139.9 28.94 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 105.805 -1.924 . . . . 0.0 105.805 168.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.17 -35.1 77.78 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.652 0.739 . . . . 0.0 110.71 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.45 133.22 20.02 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 126.877 2.071 . . . . 0.0 106.153 169.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.1 m -64.59 160.03 20.53 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.828 0.823 . . . . 0.0 111.77 -173.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.2 p -64.18 158.48 63.89 Favored Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 124.615 1.166 . . . . 0.0 112.306 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.5 149.16 18.53 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.433 2.756 . . . . 0.0 112.166 169.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 52.34 28.38 5.69 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.865 1.266 . . . . 0.0 112.859 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -158.25 30.11 0.47 Allowed Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.827 1.203 . . . . 0.0 111.241 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.5 152.29 15.03 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.947 0.899 . . . . 0.0 111.497 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -141.59 121.58 13.68 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 124.81 1.244 . . . . 0.0 108.32 171.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.6 m -59.83 139.61 57.2 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 124.056 0.942 . . . . 0.0 110.143 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 67.0 tp -153.86 139.8 18.22 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.442 1.497 . . . . 0.0 107.429 174.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -150.51 146.32 26.53 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 173.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -157.63 151.62 24.37 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.352 1.461 . . . . 0.0 108.131 175.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -135.78 8.57 3.3 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.342 1.457 . . . . 0.0 113.127 172.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 48.8 tp -53.62 -21.58 7.04 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.36 0.982 . . . . 0.0 111.884 167.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -38.71 -36.5 0.26 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.439 2.296 . . . . 0.0 113.848 168.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.33 -15.86 63.72 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.224 -0.922 . . . . 0.0 112.877 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -139.26 -1.05 1.76 Allowed 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.589 1.156 . . . . 0.0 113.086 -174.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.8 tp -54.39 -31.89 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.75 1.22 . . . . 0.0 112.148 -174.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -140.38 49.44 1.72 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 169.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 3.1 mpp? 50.22 -139.58 0.87 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.754 1.222 . . . . 0.0 108.645 -173.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.7 m -83.27 -1.98 54.5 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.88 0.872 . . . . 0.0 112.962 170.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -77.04 -19.99 56.47 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.128 0.876 . . . . 0.0 113.175 -173.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -49.63 147.01 3.79 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.528 -0.733 . . . . 0.0 111.833 171.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.17 -42.43 85.98 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.653 0.781 . . . . 0.0 110.845 -170.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -146.85 -53.58 0.23 Allowed 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.126 0.891 . . . . 0.0 109.197 170.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 49.4 mt -140.59 -9.73 1.07 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.689 1.196 . . . . 0.0 111.97 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.4 pt -144.27 174.4 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 127.187 2.195 . . . . 0.0 108.056 174.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -153.26 157.88 40.83 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.341 1.056 . . . . 0.0 108.401 169.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.241 0.622 0 CA-C-O 117.439 -1.267 . . . . 0.0 108.378 167.616 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.39 169.97 16.66 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.308 1.443 . . . . 0.0 109.174 176.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -131.86 175.21 9.4 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.473 1.509 . . . . 0.0 110.507 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -134.46 26.25 3.77 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.196 1.399 . . . . 0.0 111.908 -172.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -135.02 164.53 27.41 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 125.78 1.632 . . . . 0.0 108.622 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -149.37 151.9 34.87 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.692 1.197 . . . . 0.0 108.83 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.4 m -55.78 140.55 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 122.087 0.946 . . . . 0.0 111.448 -175.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.16 -14.92 57.91 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.987 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -64.49 160.45 19.3 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.721 1.26 . . . . 0.0 110.351 173.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.8 t -136.7 125.18 35.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -142.93 173.47 11.52 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 124.491 1.117 . . . . 0.0 109.475 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.5 m -115.91 144.81 43.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.84 -174.93 24.56 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 124.617 1.103 . . . . 0.0 110.574 -172.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.46 123.99 32.93 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 -170.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.43 125.84 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -176.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -111.74 -10.27 14.06 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 125.174 1.39 . . . . 0.0 112.635 -173.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.01 166.8 37.72 Favored Glycine 0 C--N 1.334 0.458 0 CA-C-N 119.677 1.126 . . . . 0.0 111.427 169.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.0 mt -125.67 146.99 49.49 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.791 1.236 . . . . 0.0 108.298 171.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -143.95 161.22 39.29 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 126.59 1.956 . . . . 0.0 107.562 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.42 -1.28 1.1 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -132.66 2.2 3.74 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.152 1.381 . . . . 0.0 113.528 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.55 175.99 39.08 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-N 120.183 1.356 . . . . 0.0 114.441 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.72 120.18 34.92 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 126.658 1.983 . . . . 0.0 108.201 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -74.29 140.07 44.67 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 174.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.2 t -135.54 113.71 15.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.92 144.17 49.05 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 172.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.3 mt -123.26 -28.08 4.04 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.68 1.192 . . . . 0.0 110.773 -169.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -151.98 170.11 20.69 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 126.245 1.818 . . . . 0.0 107.204 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.23 -11.38 6.18 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -141.81 20.32 2.15 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.93 1.692 . . . . 0.0 111.482 -176.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.1 m -147.98 141.03 24.92 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 120.672 -1.267 . . . . 0.0 109.917 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -149.66 156.64 42.24 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 126.112 1.765 . . . . 0.0 107.626 -176.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.76 -179.79 19.14 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 172.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.5 tp -128.62 107.35 9.62 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.407 1.083 . . . . 0.0 109.204 -169.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.3 t -66.44 117.11 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 104.634 -2.358 . . . . 0.0 104.634 167.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -75.68 147.72 39.2 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.6 tt -53.96 -36.62 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.358 0.663 . . . . 0.0 112.714 -172.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -65.97 -6.82 13.82 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.298 1.439 . . . . 0.0 113.473 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -119.11 4.45 11.34 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.736 1.614 . . . . 0.0 111.078 -172.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.5 t -76.55 -31.0 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 119.01 0.823 . . . . 0.0 110.89 -176.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 t -162.03 165.38 27.4 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.344 1.058 . . . . 0.0 108.66 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -77.0 -22.15 53.58 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.019 0.528 . . . . 0.0 111.72 169.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.72 167.66 53.63 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 175.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -69.8 137.14 51.6 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 168.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.5 t -79.64 116.51 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -64.47 -55.18 22.49 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 173.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -157.86 142.9 16.7 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 129.314 3.046 . . . . 0.0 103.444 171.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.8 tt -55.22 -33.88 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 120.356 1.435 . . . . 0.0 113.602 -170.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -16.54 63.49 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 119.503 1.047 . . . . 0.0 113.119 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -75.91 -1.3 24.8 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.233 0.924 . . . . 0.0 111.806 173.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -139.26 -7.0 1.36 Allowed 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.387 0.994 . . . . 0.0 112.931 -175.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.407 ' HG ' ' H ' ' A' ' 53' ' ' SER . 3.8 tp -152.88 179.22 8.86 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.052 1.341 . . . . 0.0 109.09 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.407 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 55.8 m -149.36 139.55 22.2 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.097 1.359 . . . . 0.0 109.497 -173.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.9 t -72.62 152.34 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 168.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.19 28.86 69.4 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 119.136 -0.813 . . . . 0.0 111.462 174.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -123.39 160.34 27.02 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -99.08 134.59 41.7 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 124.439 1.096 . . . . 0.0 108.045 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.4 m -142.31 148.28 20.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 124.592 1.157 . . . . 0.0 108.425 -173.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -99.63 133.54 43.82 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 173.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.7 m -126.94 147.51 31.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 125.768 1.627 . . . . 0.0 109.494 -169.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -103.94 127.39 51.48 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 168.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.3 t -64.55 126.09 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.9 tp -112.21 -31.56 6.82 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 124.739 1.216 . . . . 0.0 111.328 -172.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.48 157.52 39.96 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.522 1.129 . . . . 0.0 108.712 171.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.1 t -138.39 136.33 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 170.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -142.77 76.22 1.52 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 170.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -66.93 -18.57 65.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.924 -174.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.62 -44.29 57.39 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.212 0.605 . . . . 0.0 109.707 173.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -67.38 -28.92 68.33 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.648 -0.658 . . . . 0.0 110.349 169.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.21 37.29 7.2 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 124.441 1.019 . . . . 0.0 111.585 -178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -133.42 156.47 47.63 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.435 1.117 . . . . 0.0 110.598 -174.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.1 mt -140.55 138.77 35.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 104.474 -2.417 . . . . 0.0 104.474 174.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.5 m -109.64 146.27 35.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 171.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -133.07 171.56 13.81 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 124.534 1.133 . . . . 0.0 109.0 -169.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 p -145.66 152.38 39.54 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.812 0.845 . . . . 0.0 110.156 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.0 mm -124.83 -32.13 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 126.353 1.861 . . . . 0.0 109.591 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -58.68 -23.78 60.03 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.879 1.218 . . . . 0.0 112.078 169.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.97 -22.88 63.11 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.104 0.962 . . . . 0.0 113.497 173.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.3 p -116.65 -28.63 6.33 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.906 0.882 . . . . 0.0 112.394 -169.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -153.93 -169.32 3.23 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.777 2.031 . . . . 0.0 109.073 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -143.69 158.1 43.92 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.793 1.237 . . . . 0.0 108.592 169.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.57 80.37 8.35 Favored Pre-proline 0 CA--C 1.53 0.194 0 C-N-CA 124.118 0.967 . . . . 0.0 108.427 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.91 -40.39 75.7 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.611 2.208 . . . . 0.0 111.979 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -161.87 129.03 3.9 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 169.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -67.17 128.65 37.17 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 171.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -146.91 161.57 40.46 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.918 0.887 . . . . 0.0 109.886 -174.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -157.0 168.97 25.92 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 125.168 1.387 . . . . 0.0 107.517 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.0 m -66.45 7.49 0.32 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.363 1.865 . . . . 0.0 114.894 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -149.57 157.16 39.01 Favored Pre-proline 0 N--CA 1.467 0.378 0 C-N-CA 125.374 1.47 . . . . 0.0 109.84 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -62.12 154.87 59.59 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.434 2.089 . . . . 0.0 110.941 175.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -63.82 126.17 26.74 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.233 0.613 . . . . 0.0 109.829 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -71.97 163.05 70.02 Favored Pre-proline 0 CA--C 1.543 0.709 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 168.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -50.84 155.92 5.2 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 123.073 2.516 . . . . 0.0 112.589 169.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -61.43 -52.39 64.75 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 171.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -158.86 151.34 21.66 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 127.171 2.188 . . . . 0.0 107.492 169.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.37 136.13 56.57 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.93 0.492 . . . . 0.0 110.288 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 60.28 -26.97 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 128.118 2.567 . . . . 0.0 115.755 -176.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 60.2 t -69.54 -39.07 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 120.146 1.339 . . . . 0.0 109.887 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.2 m -61.28 145.14 52.38 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.798 0.439 . . . . 0.0 110.392 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -68.97 -16.09 63.65 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.42 0.688 . . . . 0.0 112.249 170.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -137.25 55.88 1.8 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.799 1.64 . . . . 0.0 107.571 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.6 -6.45 15.31 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m -53.7 156.09 2.86 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.871 1.668 . . . . 0.0 112.173 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.3 p -59.11 156.13 29.44 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 123.889 0.876 . . . . 0.0 111.233 169.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -64.85 155.8 65.6 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 122.544 2.163 . . . . 0.0 110.463 173.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -56.93 135.55 56.02 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 123.279 0.632 . . . . 0.0 109.895 -178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 54.91 20.8 21.09 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.466 1.031 . . . . 0.0 113.984 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.0 t80 48.05 33.53 3.57 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.23 1.412 . . . . 0.0 112.203 -169.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -65.98 143.62 57.27 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 121.684 -0.635 . . . . 0.0 109.997 174.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 p -136.5 14.35 3.2 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.819 1.247 . . . . 0.0 112.133 -173.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.8 pp -147.24 161.86 40.08 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.057 0.943 . . . . 0.0 111.147 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -66.21 114.41 5.28 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 169.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -55.87 130.39 43.4 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.95 0.781 . . . . 0.0 111.259 -174.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -69.33 158.76 34.43 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 123.499 0.72 . . . . 0.0 110.603 -175.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.0 tt 46.73 51.12 12.66 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.704 1.202 . . . . 0.0 110.238 -176.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.55 -34.57 75.79 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.593 169.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -139.78 163.71 31.89 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 126.82 2.048 . . . . 0.0 106.975 170.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 14.4 m-90 -62.29 161.16 11.85 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.775 0.797 . . . . 0.0 111.424 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 36.2 pt -135.1 157.1 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 125.608 1.563 . . . . 0.0 109.517 -173.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.08 149.72 49.84 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.094 0.558 . . . . 0.0 109.62 176.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 98.1 mtp -58.65 -34.67 71.47 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.229 0.611 . . . . 0.0 111.202 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.8 m -71.57 -4.97 29.95 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.384 1.074 . . . . 0.0 113.545 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -82.9 12.87 4.37 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.978 -1.076 . . . . 0.0 113.186 -174.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.15 160.91 37.21 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 120.584 -1.323 . . . . 0.0 108.762 173.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -54.72 -27.26 39.41 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.034 0.933 . . . . 0.0 112.006 174.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -54.27 -24.31 18.34 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.416 1.486 . . . . 0.0 114.443 177.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 66.8 tp -142.55 112.96 7.22 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.265 0.939 . . . . 0.0 109.409 173.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 46.9 pt -140.22 165.32 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.847 1.659 . . . . 0.0 109.057 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -55.76 116.5 2.97 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.405 0.682 . . . . 0.0 109.205 172.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 C--O 1.24 0.593 0 CA-C-O 118.066 -0.969 . . . . 0.0 108.464 172.284 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.471 0.575 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.6 156.12 24.16 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 124.115 0.884 . . . . 0.0 111.449 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.54 166.5 6.65 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.208 0.603 . . . . 0.0 111.883 169.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -61.03 -30.51 70.36 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 172.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -69.01 143.86 54.24 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.124 0.97 . . . . 0.0 109.089 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -142.48 150.15 40.15 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 125.707 1.603 . . . . 0.0 107.255 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.0 t -53.09 129.87 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 124.455 1.102 . . . . 0.0 110.109 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.96 -13.24 67.46 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 117.873 -1.515 . . . . 0.0 113.262 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -65.14 164.68 12.64 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 119.004 1.402 . . . . 0.0 110.648 172.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.7 t -138.28 128.75 35.46 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.072 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -145.51 175.87 10.02 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.318 1.447 . . . . 0.0 109.023 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.1 m -125.42 145.34 50.11 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.87 -179.62 31.96 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -173.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -110.31 135.68 50.67 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 118.861 -0.59 . . . . 0.0 109.607 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.2 t -68.8 128.26 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -118.38 -7.32 10.7 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.056 1.342 . . . . 0.0 112.35 -171.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.68 164.57 34.87 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 119.909 1.231 . . . . 0.0 110.756 168.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt -123.55 149.37 45.34 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 124.844 1.258 . . . . 0.0 108.518 168.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -143.91 161.17 39.39 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 126.997 2.119 . . . . 0.0 107.467 177.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.05 -3.37 1.21 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -132.74 2.87 3.77 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.214 1.406 . . . . 0.0 113.687 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.02 176.07 39.97 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-N 120.042 1.292 . . . . 0.0 114.418 174.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.82 119.87 33.95 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 126.555 1.942 . . . . 0.0 108.486 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -72.34 140.14 48.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 173.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.3 t -133.72 112.93 17.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 173.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.69 147.3 45.82 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.879 0.847 . . . . 0.0 110.172 171.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.4 mt -128.7 -27.77 2.55 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.42 1.488 . . . . 0.0 110.595 -169.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -152.94 161.23 42.8 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 126.72 2.008 . . . . 0.0 106.459 175.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -53.67 -17.04 1.9 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 172.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -133.88 26.72 3.96 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.199 1.399 . . . . 0.0 111.509 175.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.5 m -146.34 140.5 26.46 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.662 -1.274 . . . . 0.0 111.294 168.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -150.98 156.42 41.13 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 126.477 1.911 . . . . 0.0 107.51 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.24 178.36 20.34 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 172.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.6 tp -126.54 106.57 9.53 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.834 0.854 . . . . 0.0 108.838 -168.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.78 115.87 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 165.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -73.59 145.16 45.65 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 174.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.3 tt -52.22 -42.6 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -170.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.0 m -68.75 -9.42 50.64 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.971 0.908 . . . . 0.0 112.869 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -112.47 12.63 20.04 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 126.149 1.78 . . . . 0.0 111.374 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.9 t -74.72 -34.52 34.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 O-C-N 120.473 -1.392 . . . . 0.0 111.279 172.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 t -165.24 -161.18 0.52 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -49.79 -33.05 15.36 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 127.314 2.245 . . . . 0.0 113.54 -169.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.32 -12.54 1.39 Allowed Glycine 0 CA--C 1.529 0.931 0 CA-C-N 119.396 0.998 . . . . 0.0 113.01 171.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -77.5 27.63 0.16 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.499 1.52 . . . . 0.0 112.979 -174.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 t -79.31 55.84 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 128.043 2.537 . . . . 0.0 110.696 -170.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -52.4 -33.39 43.36 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 125.595 1.558 . . . . 0.0 112.835 173.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -146.58 140.13 25.87 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 167.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.2 tt -74.79 -34.22 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -172.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -19.55 65.88 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 119.045 0.839 . . . . 0.0 112.972 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -77.52 -5.86 51.56 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 117.767 0.258 . . . . 0.0 111.484 174.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -134.81 -19.6 1.8 Allowed 'General case' 0 CA--C 1.535 0.38 0 O-C-N 120.402 -1.436 . . . . 0.0 113.214 -168.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' HG ' ' H ' ' A' ' 53' ' ' SER . 3.5 tp -145.64 176.33 9.71 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.738 1.215 . . . . 0.0 110.009 170.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.408 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 66.1 m -148.02 134.58 19.78 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 124.763 1.225 . . . . 0.0 109.643 -168.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.4 t -67.48 151.2 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 166.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.92 39.34 93.31 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -125.47 154.39 42.12 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 168.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -92.89 133.39 36.14 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 169.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.2 m -140.02 142.76 31.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -175.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -90.56 133.55 35.0 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 171.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.09 141.2 47.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 126.56 1.944 . . . . 0.0 108.947 -169.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -93.4 132.11 37.95 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 165.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.5 t -64.78 115.04 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 171.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.3 tp -95.9 -32.69 12.52 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 124.456 1.102 . . . . 0.0 111.276 -175.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.92 161.39 38.23 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.74 1.216 . . . . 0.0 109.133 172.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.9 t -135.43 143.45 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 168.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -140.0 73.25 1.42 Allowed 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.971 1.308 . . . . 0.0 108.34 -173.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -57.93 -19.93 33.7 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.226 1.41 . . . . 0.0 113.903 -176.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -65.35 -24.99 67.39 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.419 0.688 . . . . 0.0 110.995 175.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -121.95 -5.24 9.05 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.764 1.225 . . . . 0.0 111.547 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.65 39.46 96.74 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.769 -0.533 . . . . 0.0 111.769 -174.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -113.24 158.8 20.03 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 117.946 0.873 . . . . 0.0 110.113 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.2 mt -141.11 138.26 33.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 105.527 -2.027 . . . . 0.0 105.527 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -109.7 149.57 29.56 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 169.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.0 mt -133.53 169.34 17.12 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 124.254 1.022 . . . . 0.0 109.478 -169.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.6 t -139.06 148.72 43.72 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.524 1.129 . . . . 0.0 108.777 175.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.2 mm -122.71 -26.03 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 127.189 2.195 . . . . 0.0 109.155 173.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.94 -29.22 62.96 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 119.291 -2.131 . . . . 0.0 111.108 168.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.17 -28.78 69.99 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 117.959 -1.02 . . . . 0.0 113.523 172.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.1 p -110.3 -20.07 12.76 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.25 1.02 . . . . 0.0 112.289 -169.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -124.0 61.1 1.1 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.357 1.863 . . . . 0.0 109.058 166.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.6 57.78 0.29 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.526 1.93 . . . . 0.0 112.565 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 41.85 59.27 9.63 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 126.427 1.891 . . . . 0.0 113.344 -172.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -68.78 -16.37 41.66 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.574 2.183 . . . . 0.0 112.343 170.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -135.71 -173.42 3.36 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.837 2.455 . . . . 0.0 106.882 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -53.19 159.66 1.24 Allowed 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.045 -1.66 . . . . 0.0 110.504 166.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -52.02 154.75 2.09 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 122.771 0.428 . . . . 0.0 111.167 175.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -77.9 81.95 4.29 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 123.498 0.719 . . . . 0.0 109.316 -172.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.3 m -55.41 -30.34 60.23 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.359 1.064 . . . . 0.0 112.892 177.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -141.87 165.31 28.78 Favored Pre-proline 0 CA--C 1.536 0.438 0 C-N-CA 126.258 1.823 . . . . 0.0 108.766 165.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.18 163.65 9.69 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.895 2.397 . . . . 0.0 113.27 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -64.2 -23.0 67.15 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 172.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -133.89 84.27 44.24 Favored Pre-proline 0 N--CA 1.46 0.052 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.8 -37.6 97.66 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.236 2.624 . . . . 0.0 112.822 -178.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -145.66 -63.28 0.33 Allowed 'General case' 0 C--N 1.343 0.302 0 C-N-CA 124.507 1.123 . . . . 0.0 108.786 172.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.84 168.55 24.75 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 125.463 1.505 . . . . 0.0 108.265 173.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.66 -8.21 52.68 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.886 0.875 . . . . 0.0 113.204 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -133.02 157.52 45.01 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.064 1.746 . . . . 0.0 107.223 171.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . 0.263 35.4 m 44.03 37.26 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.257 1.423 . . . . 0.0 112.06 -171.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -58.39 146.11 35.98 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.32 1.448 . . . . 0.0 109.927 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -155.09 156.36 35.69 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -175.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -71.97 -21.27 61.61 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.433 1.093 . . . . 0.0 112.535 -171.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.85 163.52 38.44 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.954 0.883 . . . . 0.0 111.181 -173.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.4 m -133.82 173.58 11.39 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.672 1.589 . . . . 0.0 109.424 -174.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.4 p -54.06 152.79 10.1 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 125.387 1.475 . . . . 0.0 111.33 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.52 -12.28 22.54 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.717 2.945 . . . . 0.0 112.709 -171.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -131.6 173.04 11.53 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 126.929 2.092 . . . . 0.0 107.867 167.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -147.43 -179.41 23.45 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 107.829 -2.108 . . . . 0.0 107.829 166.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -77.49 49.75 0.75 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.994 0.917 . . . . 0.0 111.093 176.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -158.15 -39.43 0.07 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.338 2.255 . . . . 0.0 111.227 -174.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.7 p -69.86 166.66 18.97 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.553 0.741 . . . . 0.0 112.215 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.2 tp -142.05 118.17 10.69 Favored 'General case' 0 C--N 1.338 0.1 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 169.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -141.66 149.69 40.95 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 125.304 1.442 . . . . 0.0 107.45 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -69.31 -25.9 64.45 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.455 0.702 . . . . 0.0 111.58 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -137.96 175.02 9.95 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 125.133 1.373 . . . . 0.0 108.874 -175.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 59.4 tp -55.61 -35.63 66.06 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.495 0.718 . . . . 0.0 112.024 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -141.82 152.23 43.49 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 169.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -135.14 -10.82 2.24 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.709 1.603 . . . . 0.0 111.174 -171.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -140.75 142.3 34.77 Favored 'General case' 0 C--N 1.34 0.161 0 O-C-N 120.728 -1.232 . . . . 0.0 109.786 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.4 tt -155.14 140.53 10.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 125.353 1.461 . . . . 0.0 107.306 168.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -157.19 -46.54 0.07 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.094 0.958 . . . . 0.0 108.698 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -157.28 156.81 33.08 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 125.303 1.441 . . . . 0.0 108.131 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m 50.36 35.98 12.03 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.833 1.253 . . . . 0.0 112.43 170.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -65.93 153.56 41.72 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.545 0.688 . . . . 0.0 111.971 -174.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -61.4 168.83 2.53 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.798 1.639 . . . . 0.0 111.549 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -56.84 158.65 4.59 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.231 -0.918 . . . . 0.0 110.352 176.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -81.43 -27.5 34.67 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.67 0.747 . . . . 0.0 111.705 169.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -60.95 127.33 31.06 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.06 1.344 . . . . 0.0 109.893 -175.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 37.1 pt -58.59 157.64 1.76 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.055 1.342 . . . . 0.0 112.861 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -66.04 -21.77 66.4 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 95.0 mttt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 116.317 -1.801 . . . . 0.0 110.665 -178.131 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.497 0 CA-C-O 118.598 -0.715 . . . . 0.0 109.787 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.58 154.26 17.97 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.453 0.57 . . . . 0.0 111.131 174.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.46 -149.66 0.29 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 125.582 1.553 . . . . 0.0 108.204 176.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -56.87 -18.56 13.6 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.755 0.822 . . . . 0.0 112.472 169.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -130.72 163.69 26.7 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 126.263 1.825 . . . . 0.0 107.957 176.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -143.61 145.83 32.8 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.016 1.327 . . . . 0.0 107.759 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 m -54.1 138.41 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 122.259 1.028 . . . . 0.0 111.141 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.02 -18.11 49.67 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 117.925 -1.486 . . . . 0.0 112.83 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 m -63.33 165.5 7.51 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.001 1.401 . . . . 0.0 110.751 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.6 t -138.98 127.95 29.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 -178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -140.47 177.82 7.75 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.53 1.132 . . . . 0.0 109.385 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -118.05 145.42 44.82 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.92 -176.28 27.88 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -175.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -127.31 136.12 51.49 Favored 'General case' 0 CA--C 1.512 -0.499 0 C-N-CA 123.675 0.79 . . . . 0.0 109.393 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 t -72.16 125.92 31.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 -175.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -115.81 -8.75 11.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 125.044 1.338 . . . . 0.0 112.557 -171.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -172.34 168.12 41.14 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 119.344 0.974 . . . . 0.0 110.888 170.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.3 mt -132.61 146.91 52.27 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.086 1.354 . . . . 0.0 107.399 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -143.23 160.48 40.39 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 127.044 2.138 . . . . 0.0 106.426 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.89 -4.47 2.17 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 174.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -126.58 4.34 6.82 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.828 1.251 . . . . 0.0 113.017 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.4 179.96 38.84 Favored Glycine 0 CA--C 1.526 0.771 0 CA-C-N 120.148 1.34 . . . . 0.0 114.773 176.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.63 119.99 31.47 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 126.707 2.003 . . . . 0.0 108.045 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -73.65 140.29 46.03 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 174.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.3 t -135.84 112.63 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.04 143.06 50.85 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 171.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -121.91 -28.31 4.48 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.859 1.263 . . . . 0.0 110.684 -169.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -152.24 167.99 26.82 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 126.584 1.954 . . . . 0.0 106.937 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -58.52 -14.88 9.04 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 124.982 1.313 . . . . 0.0 112.957 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -133.22 9.89 4.1 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.595 1.158 . . . . 0.0 111.88 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 m -144.6 142.12 29.92 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.268 -1.52 . . . . 0.0 110.483 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -150.26 156.13 41.0 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 126.156 1.782 . . . . 0.0 108.014 -173.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.52 -177.95 15.79 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 170.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.0 tp -131.39 106.36 8.21 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.527 1.131 . . . . 0.0 108.907 -170.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.7 116.37 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 104.688 -2.338 . . . . 0.0 104.688 167.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -74.3 149.29 40.74 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 176.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.3 tt -56.11 -37.5 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.175 -0.953 . . . . 0.0 112.26 -176.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -68.2 -3.58 11.14 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.483 1.513 . . . . 0.0 113.504 176.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -121.9 -0.22 9.6 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.612 1.965 . . . . 0.0 110.428 -174.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.2 t -70.42 -35.55 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 120.831 -1.168 . . . . 0.0 110.435 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 t -155.37 176.81 12.1 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.774 0.797 . . . . 0.0 110.178 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -61.05 3.71 0.09 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 128.903 2.881 . . . . 0.0 115.412 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -175.69 -168.85 36.62 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -172.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -67.09 142.06 57.24 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 117.87 0.835 . . . . 0.0 110.131 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.6 m -81.24 -8.36 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.533 1.533 . . . . 0.0 113.795 -175.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt 73.16 -52.14 0.71 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 127.43 2.292 . . . . 0.0 109.641 -167.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -160.31 138.75 10.2 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 127.406 2.282 . . . . 0.0 105.447 167.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.0 tt -57.08 -34.08 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -171.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -14.47 62.93 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.526 1.057 . . . . 0.0 113.113 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -83.99 -8.4 59.16 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 118.832 0.742 . . . . 0.0 111.475 177.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -134.81 -5.22 2.47 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -175.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.429 ' HG ' ' H ' ' A' ' 53' ' ' SER . 4.5 tp -145.97 176.65 9.54 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.264 1.026 . . . . 0.0 109.314 170.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.429 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 20.3 m -138.96 136.13 35.09 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.123 1.369 . . . . 0.0 108.147 -176.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.5 p -77.89 150.71 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 168.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.21 33.4 85.04 Favored Glycine 0 CA--C 1.531 1.045 0 CA-C-O 119.052 -0.86 . . . . 0.0 111.785 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -126.71 163.42 23.56 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.167 0.987 . . . . 0.0 108.605 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -103.34 135.87 44.16 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 125.097 1.359 . . . . 0.0 108.769 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.6 m -145.04 147.08 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.854 1.262 . . . . 0.0 109.289 -170.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -91.92 135.75 33.69 Favored 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 168.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 m -129.7 144.81 36.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 125.905 1.682 . . . . 0.0 109.885 -173.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -96.77 133.35 41.46 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 168.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.24 117.6 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 171.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.7 tp -95.33 -38.49 10.5 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.18 0.992 . . . . 0.0 110.976 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.79 159.49 40.65 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.345 1.458 . . . . 0.0 108.752 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 p -147.11 140.97 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 170.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -146.55 109.82 4.76 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.28 -21.61 53.35 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.438 0.695 . . . . 0.0 112.355 -174.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -73.37 -44.21 59.12 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 119.091 0.859 . . . . 0.0 109.115 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -68.7 -27.09 65.65 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.32 1.048 . . . . 0.0 110.64 169.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.02 50.58 59.69 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 -171.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -138.26 158.78 43.61 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.654 1.181 . . . . 0.0 110.125 -175.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 64.9 mt -138.65 133.56 42.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 104.6 -2.371 . . . . 0.0 104.6 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 m -102.6 147.88 26.25 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 170.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.5 mt -134.52 167.28 21.06 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.905 0.882 . . . . 0.0 109.447 -170.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.5 m -136.55 148.22 47.46 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 124.052 0.941 . . . . 0.0 109.844 172.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.7 mm -114.96 -24.51 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 126.867 2.067 . . . . 0.0 109.512 169.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -56.66 -27.02 57.81 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 119.955 -1.716 . . . . 0.0 112.565 171.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.3 -31.09 67.02 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 174.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.6 p -101.85 -16.46 16.56 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.157 0.983 . . . . 0.0 111.981 -173.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -116.12 42.25 2.41 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.38 2.272 . . . . 0.0 108.415 169.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.28 -46.92 86.64 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 123.176 0.59 . . . . 0.0 110.183 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.45 140.47 90.01 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-O 117.477 -1.249 . . . . 0.0 107.873 167.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -48.06 108.01 0.16 Allowed 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 123.878 3.052 . . . . 0.0 113.133 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -150.77 155.82 40.03 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 126.053 1.741 . . . . 0.0 106.834 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -141.74 177.22 8.32 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.582 1.553 . . . . 0.0 108.56 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -55.26 169.2 0.28 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.758 0.789 . . . . 0.0 110.598 168.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -130.31 166.94 19.33 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 168.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.5 m -140.14 -38.92 0.45 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.427 0.691 . . . . 0.0 111.729 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -67.24 -29.53 2.58 Favored Pre-proline 0 N--CA 1.472 0.658 0 CA-C-O 115.451 -2.214 . . . . 0.0 116.84 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.88 158.94 15.57 Favored 'Trans proline' 0 C--N 1.349 0.559 0 CA-C-N 123.332 2.226 . . . . 0.0 112.937 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -60.48 119.08 7.34 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 169.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -68.48 -55.49 11.87 Favored Pre-proline 0 N--CA 1.465 0.305 0 CA-C-O 117.394 -1.288 . . . . 0.0 111.629 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.75 156.14 67.16 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 CA-C-N 121.652 1.626 . . . . 0.0 110.633 173.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -131.5 1.47 4.1 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.176 0.99 . . . . 0.0 112.497 178.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.0 161.03 22.37 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.976 0.51 . . . . 0.0 110.787 173.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.88 -23.7 64.24 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 122.845 0.458 . . . . 0.0 112.027 170.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -57.28 142.8 41.96 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.139 0.975 . . . . 0.0 109.016 169.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.5 m -137.22 147.32 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.483 1.113 . . . . 0.0 109.774 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.4 m -131.08 -175.03 3.55 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.667 1.587 . . . . 0.0 109.373 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -40.7 70.91 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.955 -0.466 . . . . 0.0 112.188 176.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 51.02 33.7 9.48 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.356 1.862 . . . . 0.0 112.333 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -142.16 13.95 2.03 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.528 1.531 . . . . 0.0 111.672 -177.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.9 m -59.81 158.61 10.2 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.763 1.225 . . . . 0.0 111.627 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.9 p -60.95 160.51 20.31 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 124.153 0.981 . . . . 0.0 111.306 169.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.09 146.55 29.88 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.209 2.606 . . . . 0.0 111.725 170.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -145.13 156.57 43.97 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.384 1.474 . . . . 0.0 107.877 176.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.54 -167.31 38.74 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -66.61 -5.36 11.3 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.223 1.009 . . . . 0.0 113.713 175.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -139.25 154.05 47.92 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 126.278 1.831 . . . . 0.0 108.408 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.4 m -50.57 122.57 7.34 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.376 1.47 . . . . 0.0 110.446 -178.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 85.6 mt 45.38 37.43 2.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.549 1.539 . . . . 0.0 112.923 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.6 tttp 55.16 -74.94 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 127.686 2.395 . . . . 0.0 112.579 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -144.92 2.04 1.02 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.938 1.295 . . . . 0.0 112.054 -173.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -57.86 140.84 50.99 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 120.212 -1.555 . . . . 0.0 109.311 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 44.3 tp -145.86 162.88 36.71 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 126.386 1.874 . . . . 0.0 107.444 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -144.12 167.9 21.3 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 125.684 1.594 . . . . 0.0 108.917 175.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -139.48 171.2 14.6 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.82 1.248 . . . . 0.0 109.381 -174.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -128.13 24.96 5.92 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.657 1.183 . . . . 0.0 110.889 -171.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 48.8 pt -59.48 -11.1 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.281 1.432 . . . . 0.0 113.802 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -54.97 -30.75 59.83 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.214 0.916 . . . . 0.0 112.14 168.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 20.7 mmt -84.74 15.72 3.71 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.6 1.16 . . . . 0.0 112.509 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.9 m -138.77 25.05 2.59 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.262 2.225 . . . . 0.0 109.171 176.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -144.68 175.1 10.42 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 126.791 2.037 . . . . 0.0 108.176 -171.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -51.92 -26.0 9.37 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -172.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -56.94 -46.88 81.76 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.554 1.07 . . . . 0.0 111.181 173.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -159.2 121.53 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 124.224 1.01 . . . . 0.0 109.278 175.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -156.45 160.88 39.99 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 125.669 1.587 . . . . 0.0 109.722 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.8 pt -65.64 150.36 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-O 121.445 0.641 . . . . 0.0 110.498 174.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -142.12 159.53 42.04 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.509 1.523 . . . . 0.0 108.262 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 64.9 mttp . . . . . 0 CA--C 1.543 0.688 0 CA-C-O 117.361 -1.304 . . . . 0.0 109.304 171.809 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 47.11 28.55 0.96 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.676 1.591 . . . . 0.0 114.091 -174.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.61 176.01 7.64 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 122.6 1.19 . . . . 0.0 110.589 175.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -54.92 -41.14 70.64 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.141 -0.975 . . . . 0.0 110.664 174.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -127.04 148.75 50.12 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.629 1.572 . . . . 0.0 107.407 -173.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -140.46 151.37 44.8 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.22 1.408 . . . . 0.0 107.644 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.6 m -53.27 130.48 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-O 121.808 0.813 . . . . 0.0 111.361 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.26 -18.41 57.43 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-O 117.124 -1.931 . . . . 0.0 113.43 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.2 m -60.01 162.88 5.19 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.595 1.697 . . . . 0.0 111.081 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.6 t -133.22 129.66 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 105.715 -1.958 . . . . 0.0 105.715 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -140.9 175.43 9.62 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.567 0.747 . . . . 0.0 109.349 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 m -115.16 144.79 43.14 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.16 -177.86 27.99 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -125.58 137.24 53.9 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 123.238 0.615 . . . . 0.0 110.125 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.8 t -73.99 125.37 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -170.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -105.32 -14.96 15.18 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 124.992 1.317 . . . . 0.0 112.083 -173.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.37 166.24 36.06 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 119.685 1.13 . . . . 0.0 110.741 169.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -116.47 152.11 34.71 Favored 'General case' 0 C--O 1.227 -0.123 0 C-N-CA 123.876 0.87 . . . . 0.0 108.775 167.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -141.01 161.2 38.4 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.549 2.34 . . . . 0.0 106.505 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.96 -6.9 2.07 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -127.62 0.72 6.16 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.803 1.641 . . . . 0.0 112.704 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.85 -176.75 39.86 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-N 120.429 1.468 . . . . 0.0 114.742 176.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.64 118.22 28.65 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.115 1.766 . . . . 0.0 108.219 -176.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -71.81 141.55 49.67 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.777 -0.577 . . . . 0.0 109.522 172.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 t -138.33 114.14 10.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.23 143.9 52.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.155 0.582 . . . . 0.0 109.786 167.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.0 mt -125.15 -29.15 3.33 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 124.676 1.19 . . . . 0.0 110.579 -168.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -150.73 164.98 34.85 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 126.611 1.964 . . . . 0.0 106.372 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -53.24 -20.8 4.47 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.039 1.336 . . . . 0.0 113.356 176.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -132.73 12.52 4.41 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.873 0.869 . . . . 0.0 111.904 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.6 m -144.52 144.58 31.4 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.644 -1.285 . . . . 0.0 111.226 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -152.6 156.92 40.23 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.73 2.012 . . . . 0.0 107.518 -168.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.53 -174.8 16.08 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 171.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.1 tp -133.03 113.63 13.02 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 -171.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.5 t -70.51 118.19 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 165.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -71.34 146.77 48.61 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.456 1.025 . . . . 0.0 110.101 172.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.9 tt -57.4 -39.38 68.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 118.202 -0.904 . . . . 0.0 113.076 -173.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 m -67.44 -7.74 27.75 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 120.535 1.516 . . . . 0.0 112.542 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -117.41 6.86 12.66 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 126.411 1.884 . . . . 0.0 110.834 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 t -69.97 -27.77 34.01 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 120.156 1.344 . . . . 0.0 112.775 172.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.6 m -150.88 152.24 33.38 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.936 0.789 . . . . 0.0 109.182 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -77.59 50.82 0.85 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.142 1.377 . . . . 0.0 111.872 176.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 174.32 -161.54 31.56 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 109.118 -1.593 . . . . 0.0 109.118 -172.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -55.34 154.27 6.3 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 117.002 0.401 . . . . 0.0 110.574 168.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.3 t -123.94 87.8 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 104.151 -2.537 . . . . 0.0 104.151 167.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -55.52 -43.98 76.23 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 124.911 1.285 . . . . 0.0 111.082 -171.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -156.0 137.28 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 103.89 -2.634 . . . . 0.0 103.89 166.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.5 tt -59.91 -37.25 71.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-O 118.305 -0.855 . . . . 0.0 112.74 -171.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -19.27 65.74 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.813 1.188 . . . . 0.0 113.52 176.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -87.19 1.37 53.3 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 118.63 0.65 . . . . 0.0 111.149 174.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -131.26 -22.5 2.5 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.478 -1.389 . . . . 0.0 112.649 -173.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.445 HD13 ' H ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -148.15 168.38 22.58 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.139 1.775 . . . . 0.0 107.894 -177.625 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.445 ' H ' HD13 ' A' ' 52' ' ' LEU . 50.6 m -149.42 133.87 17.53 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 123.936 0.894 . . . . 0.0 108.742 -167.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.2 t -68.39 150.82 10.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 169.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.03 29.12 72.43 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-O 119.223 -0.765 . . . . 0.0 111.762 174.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -121.12 160.67 23.21 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.052 0.941 . . . . 0.0 108.537 175.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -99.8 135.49 41.15 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.967 1.307 . . . . 0.0 109.551 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.7 m -143.52 146.34 21.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -173.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -93.66 136.53 33.84 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 122.443 0.297 . . . . 0.0 110.433 166.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.81 145.11 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 126.904 2.082 . . . . 0.0 108.432 -169.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -95.28 132.0 40.75 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 165.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.3 t -64.78 117.12 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.915 0.886 . . . . 0.0 108.907 172.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.8 tp -94.65 -38.63 10.74 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.472 1.109 . . . . 0.0 110.87 -178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.52 158.43 41.27 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 124.584 1.154 . . . . 0.0 108.561 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.6 t -136.26 144.14 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 173.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -139.8 69.13 1.36 Allowed 'General case' 0 C--O 1.237 0.423 0 C-N-CA 126.472 1.909 . . . . 0.0 106.865 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -59.71 -20.47 56.58 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.055 1.342 . . . . 0.0 113.198 -176.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -65.58 -21.43 66.59 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.836 0.854 . . . . 0.0 111.527 174.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -122.52 -5.68 8.72 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 124.964 1.306 . . . . 0.0 111.237 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.3 40.2 94.6 Favored Glycine 0 CA--C 1.531 1.035 0 CA-C-N 118.527 0.603 . . . . 0.0 111.62 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -117.51 154.23 31.81 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 118.061 0.93 . . . . 0.0 109.575 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.9 mt -143.68 140.1 25.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 105.609 -1.996 . . . . 0.0 105.609 -177.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 m -107.27 151.1 25.91 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.831 0.853 . . . . 0.0 108.75 166.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.8 mt -137.51 167.96 20.61 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.685 1.194 . . . . 0.0 109.926 -167.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.6 m -137.88 148.85 45.74 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.914 0.886 . . . . 0.0 109.454 174.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.7 mm -116.97 -27.04 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 126.533 1.933 . . . . 0.0 109.415 170.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -56.7 -29.19 62.16 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 119.703 -1.873 . . . . 0.0 111.568 172.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.78 -31.4 66.57 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 117.301 -1.333 . . . . 0.0 112.73 176.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.1 p -97.96 -44.69 6.57 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 117.839 -1.077 . . . . 0.0 111.076 -170.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -62.25 -37.21 84.57 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.832 0.853 . . . . 0.0 110.16 168.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 51.16 -158.03 0.11 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.176 1.79 . . . . 0.0 113.599 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -141.65 164.46 34.51 Favored Pre-proline 0 CA--C 1.541 0.597 0 C-N-CA 127.242 2.217 . . . . 0.0 107.477 175.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.6 -13.7 2.61 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 124.579 3.519 . . . . 0.0 116.997 -174.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -59.99 -20.61 58.61 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.395 1.078 . . . . 0.0 112.947 171.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -144.37 156.7 44.35 Favored 'General case' 0 C--N 1.342 0.244 0 O-C-N 120.995 -1.065 . . . . 0.0 110.639 174.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 156.22 23.49 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.623 163.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -59.71 144.93 46.75 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 122.609 1.195 . . . . 0.0 111.54 175.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.1 m -63.99 166.83 7.0 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.982 -1.074 . . . . 0.0 112.922 177.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -146.72 140.33 15.05 Favored Pre-proline 0 C--O 1.237 0.4 0 CA-C-O 115.802 -2.047 . . . . 0.0 106.293 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -43.23 145.47 1.37 Allowed 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 124.932 3.755 . . . . 0.0 115.659 -173.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.42 165.86 18.91 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.976 1.71 . . . . 0.0 110.027 -174.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -138.43 142.84 36.19 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 106.187 -1.782 . . . . 0.0 106.187 167.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.5 30.95 0.37 Allowed 'Trans proline' 0 CA--C 1.545 1.042 0 C-N-CA 123.673 2.916 . . . . 0.0 113.74 -171.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -57.05 -31.27 65.01 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.253 -1.529 . . . . 0.0 112.516 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.71 160.71 40.78 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 125.41 1.484 . . . . 0.0 109.311 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.48 161.19 4.68 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.331 1.053 . . . . 0.0 111.767 172.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -129.64 148.23 51.51 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.803 1.241 . . . . 0.0 108.94 -172.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.7 m -148.4 174.1 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 125.965 1.706 . . . . 0.0 109.3 -172.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.1 m 64.54 25.6 13.23 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.665 1.186 . . . . 0.0 112.579 176.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -139.66 139.96 36.78 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.112 1.365 . . . . 0.0 107.574 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.88 -26.78 67.66 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 122.956 0.502 . . . . 0.0 111.857 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.37 -13.29 61.88 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 117.498 -1.239 . . . . 0.0 113.685 175.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.4 m -139.71 -9.99 1.2 Allowed 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.421 1.01 . . . . 0.0 112.591 -167.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.87 163.48 24.49 Favored Pre-proline 0 CA--C 1.537 0.465 0 C-N-CA 124.82 1.248 . . . . 0.0 108.956 -168.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.14 156.87 9.4 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.092 2.528 . . . . 0.0 112.351 170.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -67.86 -14.99 63.41 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.316 1.046 . . . . 0.0 113.581 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -170.52 175.16 44.46 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -149.53 174.47 12.48 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.061 1.344 . . . . 0.0 108.999 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -45.57 -38.35 6.38 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.621 1.568 . . . . 0.0 113.751 -177.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -51.12 -31.45 19.43 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.038 1.335 . . . . 0.0 112.998 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 40.3 tp -61.11 -22.11 64.35 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 176.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -140.59 12.09 2.3 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.986 1.314 . . . . 0.0 112.165 -172.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.71 -27.6 68.45 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.98 0.912 . . . . 0.0 112.042 -174.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -129.03 170.78 13.06 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.39 1.476 . . . . 0.0 108.558 167.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -134.65 -24.92 1.5 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.136 0.974 . . . . 0.0 111.092 -177.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -56.18 -38.79 71.43 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.184 1.394 . . . . 0.0 112.054 -169.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -70.7 -5.55 30.6 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -132.67 12.45 4.44 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.169 1.788 . . . . 0.0 111.671 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 15.1 tt -60.27 152.72 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-O 121.858 0.837 . . . . 0.0 111.287 -176.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -70.05 -21.73 63.14 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.382 1.073 . . . . 0.0 113.214 -173.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 62.9 mtt 54.59 28.04 9.35 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.78 1.632 . . . . 0.0 112.46 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.8 m -64.64 -11.44 35.36 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.937 0.895 . . . . 0.0 113.331 -176.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -51.02 -26.51 6.23 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.136 0.974 . . . . 0.0 113.471 169.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 -62.28 -20.64 64.49 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 174.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -58.41 148.19 28.81 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.307 0.958 . . . . 0.0 109.814 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.09 -34.74 73.88 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.916 0.886 . . . . 0.0 112.424 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 66.3 tp -145.29 131.96 19.94 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 171.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 19.6 tt -154.0 153.35 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 125.989 1.715 . . . . 0.0 107.485 176.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -138.65 161.88 36.04 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.057 1.343 . . . . 0.0 108.293 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt . . . . . 0 C--O 1.245 0.821 0 CA-C-O 115.849 -2.024 . . . . 0.0 109.495 171.031 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.9 ttp . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.36 156.9 17.86 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.347 0.259 . . . . 0.0 110.818 174.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.23 170.06 12.84 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.414 1.485 . . . . 0.0 109.831 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.6 pttt -134.83 19.39 3.51 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.843 1.257 . . . . 0.0 111.886 -173.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -131.83 163.95 27.14 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 126.715 2.006 . . . . 0.0 106.825 172.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -141.11 156.33 45.99 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.154 0.982 . . . . 0.0 108.693 -171.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.8 m -51.18 133.49 12.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 124.562 1.145 . . . . 0.0 110.816 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.81 -16.12 61.55 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 118.545 -1.142 . . . . 0.0 112.944 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -63.51 156.23 26.97 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.026 1.413 . . . . 0.0 109.88 173.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.3 t -121.2 137.97 53.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 172.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -144.35 -175.9 4.82 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 125.883 1.673 . . . . 0.0 108.42 -173.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.6 m -140.39 139.13 35.25 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.419 ' HA3' HD23 ' A' ' 27' ' ' LEU . . . -150.38 -179.18 25.95 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 123.707 0.67 . . . . 0.0 111.705 -175.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.01 122.06 39.31 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 -173.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.7 t -66.17 124.56 21.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -175.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -102.37 -15.24 16.6 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 125.099 1.36 . . . . 0.0 112.999 -174.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.43 169.7 42.29 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-N 119.586 1.085 . . . . 0.0 111.149 173.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.8 mt -127.03 154.52 44.54 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 125.004 1.322 . . . . 0.0 108.243 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -141.71 164.73 29.4 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 127.344 2.258 . . . . 0.0 106.692 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -12.04 17.11 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -132.7 10.43 4.33 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.14 0.976 . . . . 0.0 112.74 -176.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.11 178.07 40.81 Favored Glycine 0 C--N 1.338 0.689 0 O-C-N 120.383 -1.448 . . . . 0.0 113.855 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.18 132.4 47.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.281 1.432 . . . . 0.0 109.42 -177.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -82.6 145.94 29.42 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 174.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.2 t -138.99 129.95 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.13 139.97 29.93 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 169.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.419 HD23 ' HA3' ' A' ' 13' ' ' GLY . 36.4 mt -122.76 -33.99 3.29 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.146 0.579 . . . . 0.0 110.544 -174.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -161.79 169.49 21.29 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 126.442 1.897 . . . . 0.0 107.829 176.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -54.53 -21.78 11.13 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.999 0.919 . . . . 0.0 112.28 169.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -121.83 17.06 11.02 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.375 1.47 . . . . 0.0 111.473 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 m -150.07 127.39 11.39 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 120.121 -1.612 . . . . 0.0 109.146 -175.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -158.24 144.27 17.14 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 105.969 -1.863 . . . . 0.0 105.969 -173.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.36 -174.08 25.7 Favored Glycine 0 CA--C 1.524 0.616 0 CA-C-N 119.172 0.896 . . . . 0.0 113.928 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.1 tp -131.71 117.17 18.26 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 125.925 1.69 . . . . 0.0 108.602 -171.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.9 t -80.1 124.95 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 168.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -77.85 147.75 35.01 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 170.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.3 tt -54.58 -34.53 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.945 -0.472 . . . . 0.0 111.96 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m -63.25 -8.51 8.53 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.66 1.584 . . . . 0.0 113.129 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -121.35 1.83 10.22 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.141 1.776 . . . . 0.0 111.296 -176.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.2 t -73.2 -36.85 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 119.504 1.047 . . . . 0.0 110.73 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.5 m -151.95 174.36 13.72 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 105.456 -2.053 . . . . 0.0 105.456 176.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -41.86 -42.89 2.84 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.433 1.493 . . . . 0.0 113.693 -170.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 176.36 -32.93 0.08 OUTLIER Glycine 0 CA--C 1.527 0.812 0 C-N-CA 123.551 0.596 . . . . 0.0 112.145 169.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -78.68 42.28 0.44 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.387 1.475 . . . . 0.0 112.501 -175.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.2 t -63.3 106.78 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 175.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -62.41 -46.71 87.33 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -157.93 144.69 17.83 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 126.316 1.847 . . . . 0.0 106.141 169.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.3 tt -57.63 -37.08 56.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 118.691 -0.671 . . . . 0.0 112.338 -175.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -12.02 61.3 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.636 1.107 . . . . 0.0 112.753 -178.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -90.42 -4.56 56.93 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.928 0.786 . . . . 0.0 111.42 173.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -133.9 -10.84 2.66 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.298 1.039 . . . . 0.0 113.147 -169.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 tp -149.77 -179.25 6.97 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.627 1.971 . . . . 0.0 106.499 170.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.6 m -158.57 139.76 13.18 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.245 -0.909 . . . . 0.0 109.234 179.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.35 148.8 11.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 168.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.89 32.73 70.08 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.026 -0.874 . . . . 0.0 111.341 177.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -127.37 162.8 25.44 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 175.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -107.46 131.81 53.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.5 m -142.4 145.41 23.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 C-N-CA 124.216 1.006 . . . . 0.0 109.795 -169.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -79.54 142.04 36.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 169.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.07 148.0 27.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 124.643 1.177 . . . . 0.0 110.337 177.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -103.83 130.59 51.41 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 168.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.7 t -68.57 125.9 27.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.9 tp -111.74 -30.74 7.21 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.623 1.169 . . . . 0.0 111.473 -172.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.43 159.35 38.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.94 1.296 . . . . 0.0 108.234 173.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.9 t -134.32 138.75 49.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 173.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -142.81 84.34 1.84 Allowed 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 125.32 1.448 . . . . 0.0 107.41 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -67.14 -24.7 65.93 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.598 0.759 . . . . 0.0 111.693 -175.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -70.2 -42.45 72.32 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.581 0.628 . . . . 0.0 109.382 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -71.22 -24.37 62.19 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 122.875 0.47 . . . . 0.0 110.643 169.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 72.52 39.74 55.73 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -172.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -138.56 165.49 26.75 Favored 'General case' 0 N--CA 1.46 0.062 0 C-N-CA 124.66 1.184 . . . . 0.0 110.137 -171.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 54.0 mt -143.71 136.25 23.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 -175.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.2 m -94.45 143.6 26.27 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 169.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.3 mt -131.45 165.63 23.1 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 124.616 1.167 . . . . 0.0 108.461 -169.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 p -143.28 148.34 36.2 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.293 0.637 . . . . 0.0 109.516 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.4 mm -112.2 -42.51 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 125.245 1.418 . . . . 0.0 108.1 -178.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -55.99 -24.19 37.29 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.397 0.999 . . . . 0.0 112.871 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.57 -18.53 63.64 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.934 1.294 . . . . 0.0 113.799 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.0 t -147.1 -8.87 0.45 Allowed 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.665 1.121 . . . . 0.0 113.958 -169.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -130.52 155.78 45.91 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.098 1.359 . . . . 0.0 108.41 171.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.32 169.02 24.11 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.993 1.717 . . . . 0.0 108.365 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 39.77 60.16 6.5 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 125.56 1.544 . . . . 0.0 112.182 -173.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -67.49 170.02 14.51 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.013 2.476 . . . . 0.0 112.886 -170.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -143.54 163.94 31.75 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.759 2.024 . . . . 0.0 106.603 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.47 166.47 17.87 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.593 1.157 . . . . 0.0 111.859 -171.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.07 165.82 32.66 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 125.773 1.629 . . . . 0.0 108.968 178.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -149.18 103.16 3.3 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 m -63.1 -28.92 70.4 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.82 1.248 . . . . 0.0 113.015 -175.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -61.81 155.44 61.81 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 123.677 0.791 . . . . 0.0 109.911 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -64.53 159.91 42.3 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 121.822 1.681 . . . . 0.0 110.523 169.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -62.06 168.15 3.45 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.399 1.08 . . . . 0.0 112.023 -176.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -139.78 155.21 71.38 Favored Pre-proline 0 N--CA 1.466 0.357 0 C-N-CA 125.522 1.529 . . . . 0.0 108.46 -176.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -70.89 -17.84 32.13 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.684 2.256 . . . . 0.0 113.051 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -148.07 163.5 36.73 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.46 1.504 . . . . 0.0 108.837 176.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.96 152.05 44.25 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 123.289 0.368 . . . . 0.0 110.201 172.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.45 171.27 10.37 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.643 0.777 . . . . 0.0 110.63 169.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -144.43 151.67 39.56 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.192 1.397 . . . . 0.0 107.442 173.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.6 p -60.84 -29.5 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.826 0.85 . . . . 0.0 112.494 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.3 m -143.55 164.04 31.49 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.302 1.441 . . . . 0.0 108.28 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.7 mp0 -79.85 -0.24 33.87 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.693 1.197 . . . . 0.0 112.505 -173.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -57.71 132.05 52.13 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.661 1.184 . . . . 0.0 111.322 -173.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -158.81 157.81 32.31 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.394 1.478 . . . . 0.0 108.965 176.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.2 m -61.94 152.15 32.92 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.644 0.778 . . . . 0.0 110.584 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.2 m -57.97 135.58 83.79 Favored Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 123.916 0.887 . . . . 0.0 109.332 175.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -68.31 156.5 65.47 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.179 1.92 . . . . 0.0 110.949 176.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -132.61 9.58 4.29 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.991 1.317 . . . . 0.0 111.103 177.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 179.63 170.44 41.36 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 126.648 2.071 . . . . 0.0 108.152 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -144.63 156.38 44.08 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 124.072 0.949 . . . . 0.0 109.31 -176.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -155.14 165.93 35.15 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.096 1.759 . . . . 0.0 107.706 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.8 p -61.87 169.07 2.73 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.081 0.952 . . . . 0.0 109.786 168.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.0 tp -53.31 -37.8 62.59 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.547 -0.721 . . . . 0.0 111.623 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -152.33 175.22 12.9 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 126.1 1.76 . . . . 0.0 107.351 169.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.9 127.99 34.63 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 169.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -153.12 131.55 12.13 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.55 120.14 14.11 Favored 'General case' 0 N--CA 1.46 0.05 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 169.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -153.2 177.68 10.57 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 174.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -56.78 -23.11 40.85 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.509 1.124 . . . . 0.0 112.796 -174.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -16.03 11.24 Favored 'General case' 0 C--N 1.343 0.29 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 175.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.5 tt -54.49 -23.35 10.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 119.747 1.158 . . . . 0.0 112.185 171.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.72 -29.39 66.66 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.363 1.065 . . . . 0.0 112.31 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.98 -4.71 1.04 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -172.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 41.8 m -138.77 143.15 38.85 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.233 1.013 . . . . 0.0 109.605 -176.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -158.18 152.6 24.52 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 125.498 1.519 . . . . 0.0 108.129 175.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -145.58 145.96 31.19 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 170.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -143.37 18.89 1.89 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.507 1.123 . . . . 0.0 111.912 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -148.19 160.03 43.35 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 125.544 1.537 . . . . 0.0 107.734 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.31 127.6 32.88 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.941 0.791 . . . . 0.0 109.599 -173.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 8.5 tp -57.14 -32.09 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.709 0.804 . . . . 0.0 112.636 -174.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -68.03 -23.59 65.0 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt . . . . . 0 C--O 1.247 0.947 0 CA-C-O 117.873 -1.06 . . . . 0.0 108.717 -176.109 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 C--O 1.218 -0.598 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.29 160.74 42.15 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.912 1.285 . . . . 0.0 108.528 168.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.0 166.47 32.32 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.505 1.522 . . . . 0.0 109.216 174.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -65.99 -30.0 70.48 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 122.03 -0.419 . . . . 0.0 111.762 176.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -61.19 137.73 58.23 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.634 0.774 . . . . 0.0 110.063 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -152.24 153.44 33.76 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 125.455 1.502 . . . . 0.0 108.345 175.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.1 t -54.36 127.94 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 124.272 1.029 . . . . 0.0 110.214 -173.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.38 -19.61 47.64 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 118.107 -1.385 . . . . 0.0 112.566 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -63.77 164.17 10.44 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.602 1.201 . . . . 0.0 111.115 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.8 t -138.17 128.49 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -144.17 -176.06 4.86 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 125.102 1.361 . . . . 0.0 109.401 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.1 m -125.34 145.81 49.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.49 178.21 33.94 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 -177.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -117.67 136.41 53.35 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 117.46 0.63 . . . . 0.0 110.071 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 t -68.57 128.43 31.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -116.7 -8.51 11.42 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 124.734 1.214 . . . . 0.0 112.525 -172.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.61 165.27 34.88 Favored Glycine 0 C--N 1.334 0.434 0 CA-C-N 119.642 1.11 . . . . 0.0 111.308 169.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -121.36 153.32 37.93 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 124.406 1.082 . . . . 0.0 109.183 169.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -142.65 161.22 38.64 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 127.186 2.194 . . . . 0.0 106.704 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.06 -6.92 4.53 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -129.92 7.31 5.13 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.124 1.37 . . . . 0.0 113.893 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.2 177.99 40.25 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 119.836 1.198 . . . . 0.0 114.621 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.36 122.21 33.08 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.124 1.77 . . . . 0.0 108.585 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -75.65 140.52 42.61 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.2 t -135.26 113.19 15.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 174.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.04 148.42 41.97 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.547 0.739 . . . . 0.0 109.683 173.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.7 mt -125.53 -28.67 3.28 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.043 1.337 . . . . 0.0 110.709 -169.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.44 161.2 32.88 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 127.371 2.268 . . . . 0.0 106.416 -178.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.78 -10.58 2.46 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 -174.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -133.48 14.7 4.09 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.422 1.489 . . . . 0.0 111.671 174.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.9 m -138.93 134.04 32.65 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 120.544 -1.347 . . . . 0.0 109.697 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -152.16 156.36 39.65 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.938 1.695 . . . . 0.0 107.759 -175.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.59 178.71 19.14 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 170.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.9 tp -128.13 114.43 17.02 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 124.323 1.049 . . . . 0.0 108.585 -171.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.8 t -72.47 121.04 22.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 105.242 -2.133 . . . . 0.0 105.242 166.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -72.74 146.69 46.23 Favored 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 171.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.0 tt -51.96 -37.8 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 O-C-N 121.249 -0.907 . . . . 0.0 112.757 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 m -69.1 -1.88 8.8 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.529 1.132 . . . . 0.0 113.458 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -120.88 2.48 10.53 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.592 1.957 . . . . 0.0 110.5 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.3 t -76.38 -31.26 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 O-C-N 120.677 -1.264 . . . . 0.0 111.042 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.4 m -153.52 151.92 30.36 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -80.51 39.53 0.47 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.536 1.134 . . . . 0.0 111.72 -175.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 178.54 -166.11 35.74 Favored Glycine 0 CA--C 1.526 0.762 0 C-N-CA 125.528 1.537 . . . . 0.0 109.485 -172.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -57.33 158.31 5.64 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.531 0.682 . . . . 0.0 111.554 175.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.4 t -122.88 126.96 74.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -58.52 -56.37 23.02 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.347 1.059 . . . . 0.0 108.752 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -165.27 142.13 5.71 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 129.595 3.158 . . . . 0.0 103.037 168.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.0 tt -57.19 -32.73 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 119.655 1.116 . . . . 0.0 113.596 -171.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -16.22 64.0 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.814 1.188 . . . . 0.0 113.623 175.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -87.92 1.57 53.75 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.45 0.7 . . . . 0.0 111.471 175.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -129.12 -26.12 2.65 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.942 1.297 . . . . 0.0 112.781 -177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.6 mt -140.93 165.13 28.38 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.382 1.473 . . . . 0.0 109.665 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.1 m -144.61 124.24 13.27 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.568 1.147 . . . . 0.0 108.718 -168.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.42 143.44 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 172.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.37 30.19 62.92 Favored Glycine 0 CA--C 1.527 0.826 0 CA-C-O 119.235 -0.758 . . . . 0.0 111.809 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -123.19 160.97 25.42 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 172.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -103.17 136.49 42.86 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 124.556 1.142 . . . . 0.0 109.305 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.2 m -143.86 145.6 21.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 C-N-CA 124.89 1.276 . . . . 0.0 108.558 -171.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -86.74 137.6 32.31 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 168.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 m -130.58 143.21 41.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 125.962 1.705 . . . . 0.0 109.477 -173.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -95.3 130.99 41.87 Favored 'General case' 0 CA--C 1.523 -0.077 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 168.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.9 t -66.3 122.18 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 171.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.2 tp -109.89 -27.95 9.0 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 124.651 1.18 . . . . 0.0 111.646 -175.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.46 160.99 40.07 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.677 1.191 . . . . 0.0 108.971 169.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.5 t -135.73 143.35 36.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 168.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -139.22 73.94 1.45 Allowed 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.774 1.229 . . . . 0.0 108.389 -173.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.84 -17.39 23.36 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.072 1.349 . . . . 0.0 113.983 -176.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -63.45 -24.23 67.74 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.543 0.737 . . . . 0.0 111.4 174.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm -127.62 -2.93 6.06 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.314 1.446 . . . . 0.0 111.555 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.84 33.44 87.26 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 123.517 0.58 . . . . 0.0 112.119 -174.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -100.98 161.09 13.84 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 117.973 0.887 . . . . 0.0 109.716 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.6 mt -141.01 141.34 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 m -110.41 148.47 31.95 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 169.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.6 mt -134.0 167.89 19.79 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 124.262 1.025 . . . . 0.0 109.682 -168.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.2 t -137.0 151.52 49.08 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.528 1.131 . . . . 0.0 109.467 172.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.3 mm -123.98 -28.73 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 127.11 2.164 . . . . 0.0 109.715 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -56.66 -29.47 62.34 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 120.857 1.662 . . . . 0.0 111.409 168.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.19 -23.01 64.8 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 174.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.1 p -118.14 -20.0 8.82 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.508 1.049 . . . . 0.0 112.361 -169.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -127.98 46.27 2.6 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.391 1.876 . . . . 0.0 108.354 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.95 -13.7 58.0 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.769 1.228 . . . . 0.0 113.763 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.74 151.36 15.39 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 124.158 0.983 . . . . 0.0 111.976 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -63.68 162.41 28.28 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 123.049 2.5 . . . . 0.0 111.845 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.99 -18.82 65.56 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.151 0.981 . . . . 0.0 112.931 -175.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -146.51 163.1 36.82 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.944 1.697 . . . . 0.0 108.794 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -61.7 123.73 18.75 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 170.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -82.93 -13.52 55.89 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.774 0.671 . . . . 0.0 111.239 174.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.0 m -57.89 153.24 14.46 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.256 1.422 . . . . 0.0 111.766 176.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -60.49 150.18 74.93 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-O 119.136 -0.459 . . . . 0.0 110.082 171.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.88 166.04 25.9 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.55 2.167 . . . . 0.0 111.203 174.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.2 ptt85 -61.15 166.27 3.79 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.281 0.563 . . . . 0.0 111.885 170.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -58.54 146.69 72.39 Favored Pre-proline 0 C--O 1.241 0.636 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 168.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -70.33 166.97 26.55 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 122.754 2.303 . . . . 0.0 111.189 176.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -144.67 149.1 35.1 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.337 1.455 . . . . 0.0 107.752 169.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -147.5 168.7 21.26 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 126.637 1.975 . . . . 0.0 107.719 175.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.83 -43.75 66.22 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.259 0.624 . . . . 0.0 112.519 -171.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -62.4 -14.98 46.15 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.8 m -134.42 18.61 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.542 1.537 . . . . 0.0 111.198 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.8 m -72.13 -37.05 69.55 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 120.96 -1.087 . . . . 0.0 111.926 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.61 143.16 56.18 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.951 0.782 . . . . 0.0 109.574 169.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -148.91 172.91 13.93 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.999 1.32 . . . . 0.0 110.195 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -141.61 -154.13 0.5 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.815 1.646 . . . . 0.0 109.193 -175.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.8 m -47.05 141.58 4.14 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 125.492 1.517 . . . . 0.0 111.42 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.4 p -64.9 154.59 85.75 Favored Pre-proline 0 CA--C 1.539 0.534 0 C-N-CA 123.963 0.905 . . . . 0.0 111.912 -174.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.58 -38.16 6.34 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.247 1.964 . . . . 0.0 110.738 169.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -74.24 163.12 28.22 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 124.174 0.99 . . . . 0.0 109.953 169.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -78.91 28.86 2.14 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.181 0.896 . . . . 0.0 113.944 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -61.97 -46.55 88.77 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.967 1.384 . . . . 0.0 109.993 169.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -57.59 141.4 48.19 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.411 0.685 . . . . 0.0 110.274 168.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.8 p -120.76 -6.51 9.63 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.941 1.297 . . . . 0.0 112.15 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 93.0 mt -68.51 122.66 18.92 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 121.217 -0.927 . . . . 0.0 108.71 174.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -66.63 170.18 6.7 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.307 0.643 . . . . 0.0 111.637 174.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -149.88 162.88 39.45 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.417 1.487 . . . . 0.0 108.659 174.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -59.97 151.54 25.92 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.629 0.771 . . . . 0.0 110.481 177.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 59.8 tp -62.38 141.54 58.27 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.227 -178.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -75.01 50.75 0.48 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.879 1.271 . . . . 0.0 111.829 172.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -139.39 -41.45 0.46 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.701 2.0 . . . . 0.0 108.03 168.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 64.1 t-105 -68.27 -35.77 78.38 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.274 0.63 . . . . 0.0 110.558 168.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 22.6 pt -136.24 -164.83 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.726 2.01 . . . . 0.0 108.847 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -141.75 157.57 44.87 Favored 'General case' 0 C--O 1.243 0.715 0 C-N-CA 126.021 1.728 . . . . 0.0 107.006 167.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 15.2 tpt -148.11 -35.52 0.21 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 118.261 -0.876 . . . . 0.0 112.009 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.5 p -51.28 -51.69 51.86 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.988 1.315 . . . . 0.0 111.808 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -59.31 -47.33 85.81 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 123.985 0.914 . . . . 0.0 111.573 176.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -62.86 -41.45 99.37 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.448 0.699 . . . . 0.0 110.963 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -74.01 -9.43 58.62 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.591 1.557 . . . . 0.0 112.089 178.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.7 t0 48.51 53.66 11.74 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 123.299 1.524 . . . . 0.0 110.987 -169.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 61.0 tp -132.99 139.11 47.09 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 125.231 1.412 . . . . 0.0 108.708 -176.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.0 tp -148.1 146.6 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 125.712 1.605 . . . . 0.0 107.115 169.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -134.25 21.61 3.73 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.8 0.84 . . . . 0.0 112.053 -170.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt . . . . . 0 C--O 1.248 1.02 0 CA-C-O 116.903 -1.522 . . . . 0.0 109.367 171.002 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 tpt . . . . . 0 N--CA 1.47 0.566 0 CA-C-O 118.636 -0.697 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.7 179.12 7.18 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.847 1.259 . . . . 0.0 110.247 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.96 168.03 20.76 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.191 1.797 . . . . 0.0 109.731 170.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -129.17 15.4 6.2 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.285 1.034 . . . . 0.0 112.325 -168.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -136.96 170.26 16.41 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.426 1.491 . . . . 0.0 108.697 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -140.02 145.7 38.09 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.491 1.116 . . . . 0.0 108.743 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 m -55.17 142.0 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 124.617 1.167 . . . . 0.0 111.674 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.86 -12.22 53.93 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-O 117.976 -1.458 . . . . 0.0 113.557 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 m -65.33 165.68 11.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 119.059 1.429 . . . . 0.0 110.726 172.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.5 t -139.63 127.11 25.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -140.64 179.97 6.38 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.458 1.103 . . . . 0.0 109.324 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.2 m -121.95 143.54 49.41 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.79 -178.97 29.64 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -174.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -121.49 136.49 54.95 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 117.607 0.703 . . . . 0.0 110.215 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.3 t -71.69 126.74 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 -175.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -115.1 -7.25 12.49 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.877 1.271 . . . . 0.0 112.227 -171.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.35 165.7 37.32 Favored Glycine 0 C--N 1.331 0.304 0 CA-C-N 119.384 0.993 . . . . 0.0 110.734 169.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.2 mt -130.78 148.76 52.6 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 124.871 1.268 . . . . 0.0 107.802 173.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -146.97 158.22 43.86 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.521 1.928 . . . . 0.0 106.857 -176.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.64 -3.06 1.97 Allowed 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -130.33 6.12 4.86 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.328 1.451 . . . . 0.0 114.446 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.48 178.11 39.43 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 119.81 1.186 . . . . 0.0 114.532 175.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.68 120.89 29.02 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 126.242 1.817 . . . . 0.0 108.57 -177.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -74.5 141.35 44.89 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 173.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.0 t -137.25 111.55 9.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 176.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.14 142.47 55.74 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.114 0.566 . . . . 0.0 109.692 168.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.5 mt -123.34 -32.58 3.39 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 123.186 0.594 . . . . 0.0 111.296 -167.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.11 162.3 38.0 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 125.371 1.468 . . . . 0.0 107.437 -169.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -57.86 -14.99 7.06 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.895 1.278 . . . . 0.0 113.71 -176.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -129.23 6.05 5.32 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.438 1.495 . . . . 0.0 111.344 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 m -143.8 141.75 30.54 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-O 123.424 1.583 . . . . 0.0 112.281 -168.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -146.1 156.36 43.39 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 127.14 2.176 . . . . 0.0 107.75 177.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.15 -177.08 15.53 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 171.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.9 tp -133.07 113.33 12.64 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.688 1.195 . . . . 0.0 108.272 -171.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.4 t -70.7 119.34 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 165.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -74.32 149.82 40.45 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.978 1.263 . . . . 0.0 108.171 171.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.2 tt -53.31 -33.9 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 120.957 -1.089 . . . . 0.0 112.831 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -64.01 -9.87 18.44 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.249 1.819 . . . . 0.0 113.917 176.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -122.61 0.46 9.34 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 126.017 1.727 . . . . 0.0 110.46 -169.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.1 t -69.59 -38.15 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 O-C-N 120.961 -1.087 . . . . 0.0 111.357 178.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.5 t -155.07 162.25 41.09 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.306 1.042 . . . . 0.0 109.649 177.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -75.63 56.7 0.92 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.144 1.378 . . . . 0.0 110.876 169.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -179.02 179.97 48.81 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 123.643 0.64 . . . . 0.0 111.555 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -60.2 161.42 7.05 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.697 0.76 . . . . 0.0 111.271 169.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.0 t -121.91 113.55 39.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -56.5 -53.46 57.18 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.521 0.729 . . . . 0.0 110.438 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -159.78 139.02 11.05 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 103.826 -2.657 . . . . 0.0 103.826 169.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.6 tt -56.4 -33.15 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 121.082 1.765 . . . . 0.0 113.505 -172.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -12.06 60.03 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 175.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -74.97 -21.24 59.28 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 121.223 -0.923 . . . . 0.0 112.4 168.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -114.68 -25.17 8.39 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.734 0.814 . . . . 0.0 112.845 -169.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.5 mt -140.12 167.01 23.12 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 126.176 1.791 . . . . 0.0 109.125 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 m -142.47 124.31 15.15 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -175.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.1 p -59.28 145.52 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 O-C-N 121.204 -0.935 . . . . 0.0 110.561 167.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.38 32.34 71.84 Favored Glycine 0 CA--C 1.526 0.756 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.107 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -126.87 161.77 27.48 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.95 0.9 . . . . 0.0 108.805 174.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -101.67 135.57 42.98 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.643 1.177 . . . . 0.0 109.916 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.9 m -144.24 143.42 23.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 C-N-CA 125.052 1.341 . . . . 0.0 109.083 -172.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -80.51 138.14 36.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 166.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 m -132.61 146.32 33.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 126.136 1.774 . . . . 0.0 109.901 -177.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -95.38 134.04 38.64 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 167.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.76 113.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 168.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -90.15 -41.83 11.41 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.412 0.685 . . . . 0.0 111.164 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.92 166.19 33.27 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 125.491 1.516 . . . . 0.0 108.777 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.23 147.03 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 124.813 1.245 . . . . 0.0 108.783 173.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -135.38 101.97 5.0 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 168.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -77.56 -12.34 59.95 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -173.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -76.38 -45.06 33.52 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 118.772 0.715 . . . . 0.0 109.288 172.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.25 -24.61 65.82 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.673 0.789 . . . . 0.0 110.859 167.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.29 43.18 93.4 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 123.614 0.626 . . . . 0.0 111.632 -174.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.8 162.05 34.3 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 118.093 0.947 . . . . 0.0 111.34 -173.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 78.1 mt -133.42 138.4 51.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -176.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 m -96.28 145.96 25.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 166.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.1 mt -132.82 166.33 22.52 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 123.68 0.792 . . . . 0.0 110.096 -170.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 m -135.27 150.3 50.0 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 123.949 0.9 . . . . 0.0 109.889 171.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.5 mm -117.59 -24.73 3.26 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 C-N-CA 125.917 1.687 . . . . 0.0 110.403 171.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -54.45 -27.16 35.39 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.923 1.238 . . . . 0.0 113.297 169.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.77 -19.05 58.05 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 56.5 p -122.92 -22.84 5.15 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.229 0.922 . . . . 0.0 112.797 -168.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -142.61 154.48 44.43 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.559 1.544 . . . . 0.0 108.811 -178.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.62 -40.33 84.68 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.673 -0.642 . . . . 0.0 110.652 169.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 36.96 59.04 3.8 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 126.751 2.02 . . . . 0.0 113.003 -175.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.75 162.21 43.35 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.988 2.459 . . . . 0.0 112.648 -172.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.04 142.69 57.38 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.134 0.974 . . . . 0.0 110.707 170.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -157.3 171.89 19.59 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.587 1.555 . . . . 0.0 109.274 168.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -129.26 91.32 3.16 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 176.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -150.27 -5.82 0.32 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.956 1.302 . . . . 0.0 112.342 -172.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.0 19.38 3.23 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.6 1.56 . . . . 0.0 110.424 -168.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -54.84 155.04 8.59 Favored Pre-proline 0 CA--C 1.536 0.408 0 O-C-N 121.061 -1.024 . . . . 0.0 111.068 167.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -63.27 158.5 44.22 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.221 1.947 . . . . 0.0 110.469 171.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -125.58 1.86 7.58 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.513 0.725 . . . . 0.0 112.826 -169.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt 40.05 61.66 6.17 Favored Pre-proline 0 N--CA 1.471 0.625 0 C-N-CA 125.555 1.542 . . . . 0.0 111.622 -175.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.99 155.45 69.61 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 121.868 1.712 . . . . 0.0 110.4 170.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -65.49 140.14 58.56 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.421 -0.799 . . . . 0.0 109.27 172.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -148.75 145.66 27.72 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.47 1.108 . . . . 0.0 108.016 167.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -148.74 164.85 33.17 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 125.147 1.379 . . . . 0.0 109.826 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -61.88 147.77 45.57 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 124.274 0.984 . . . . 0.0 111.123 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 8.2 m -148.68 170.38 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 126.463 1.905 . . . . 0.0 109.717 -175.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.0 m -54.99 137.83 45.15 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.495 -0.753 . . . . 0.0 109.019 167.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -153.47 154.9 35.27 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.187 0.595 . . . . 0.0 109.787 -170.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -137.14 -17.18 1.38 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.04 1.736 . . . . 0.0 111.866 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.68 150.62 43.93 Favored 'General case' 0 C--N 1.341 0.212 0 O-C-N 121.244 -0.91 . . . . 0.0 110.678 169.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.8 m -133.93 158.55 43.2 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 124.743 1.217 . . . . 0.0 110.318 -174.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.8 p -54.53 148.29 25.78 Favored Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 124.337 1.055 . . . . 0.0 112.063 172.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.42 -25.71 17.88 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.421 2.081 . . . . 0.0 113.15 -176.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -60.73 141.08 57.25 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.592 -0.693 . . . . 0.0 110.397 177.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 177.61 37.13 0.06 OUTLIER Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -178.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -66.53 -28.5 68.6 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.156 0.982 . . . . 0.0 112.915 -170.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -152.51 159.04 43.34 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.491 1.516 . . . . 0.0 108.419 174.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.4 p -60.02 157.61 12.53 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.745 0.783 . . . . 0.0 111.8 168.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 65.1 tp -149.09 129.15 13.53 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.809 1.244 . . . . 0.0 108.847 178.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -68.05 -44.32 76.65 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 118.844 -0.598 . . . . 0.0 111.043 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -58.56 141.57 51.73 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.887 0.742 . . . . 0.0 111.632 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -147.64 150.45 34.42 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 125.018 1.327 . . . . 0.0 107.885 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 66.2 tp -146.51 -43.5 0.19 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.616 1.166 . . . . 0.0 110.105 171.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -153.95 162.91 40.85 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.316 1.846 . . . . 0.0 108.18 173.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -147.61 30.53 0.9 Allowed 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 124.282 1.033 . . . . 0.0 111.396 -174.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 9.8 m-90 -130.45 167.07 19.21 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 124.394 1.078 . . . . 0.0 111.3 -174.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 9.8 tp -137.93 135.61 45.41 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 C-N-CA 124.421 1.089 . . . . 0.0 108.99 172.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -160.31 177.49 10.57 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 126.477 1.911 . . . . 0.0 108.378 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 78.1 mtm -140.45 161.87 36.68 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 124.227 1.011 . . . . 0.0 109.829 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.3 m -140.29 158.59 43.8 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.262 1.825 . . . . 0.0 108.624 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -156.48 126.27 6.35 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 124.108 0.963 . . . . 0.0 110.326 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.94 123.89 18.89 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 167.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.8 pttt -61.24 168.51 2.57 Favored 'General case' 0 C--O 1.231 0.103 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 175.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -56.91 172.07 0.3 Allowed 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.069 0.948 . . . . 0.0 111.25 166.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -0.48 2.38 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 174.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.5 tt -53.21 140.99 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 C-N-CA 126.034 1.734 . . . . 0.0 112.159 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -72.57 -20.24 61.35 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 60.6 mttp . . . . . 0 C--O 1.245 0.853 0 CA-C-O 117.142 -1.409 . . . . 0.0 110.035 178.245 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mpp? . . . . . 0 N--CA 1.472 0.628 0 CA-C-O 117.142 -1.408 . . . . 0.0 107.522 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.29 166.21 27.77 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 125.062 1.345 . . . . 0.0 109.151 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.96 173.25 11.71 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.47 1.908 . . . . 0.0 109.884 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -130.64 17.12 5.3 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.556 1.142 . . . . 0.0 111.143 -171.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -139.74 164.36 30.15 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 125.672 1.589 . . . . 0.0 108.715 -172.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -140.23 148.53 41.64 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.345 1.458 . . . . 0.0 107.867 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.1 m -54.89 140.62 12.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 124.595 1.158 . . . . 0.0 112.538 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.9 -21.95 27.81 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 117.261 -1.855 . . . . 0.0 112.969 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 m -63.19 164.58 8.47 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 118.798 1.299 . . . . 0.0 110.955 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.9 t -138.94 129.63 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -140.93 -175.28 4.25 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.933 1.293 . . . . 0.0 109.576 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -120.51 146.15 46.57 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.32 -176.0 24.51 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 124.966 1.27 . . . . 0.0 110.16 -177.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -125.97 135.08 51.42 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 117.864 0.832 . . . . 0.0 110.372 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.2 t -70.85 126.89 32.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -174.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -111.66 -11.83 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.948 1.299 . . . . 0.0 112.21 -173.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.75 166.0 35.46 Favored Glycine 0 C--N 1.334 0.44 0 O-C-N 120.957 -1.089 . . . . 0.0 110.899 168.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.6 mt -118.93 151.06 38.83 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 123.994 0.918 . . . . 0.0 108.851 167.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -141.89 160.43 40.22 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 127.35 2.26 . . . . 0.0 106.429 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -7.53 4.12 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -120.28 -2.64 10.07 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.649 1.58 . . . . 0.0 113.499 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.95 -178.05 39.51 Favored Glycine 0 C--N 1.339 0.721 0 CA-C-N 120.181 1.355 . . . . 0.0 114.326 -178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.87 120.01 32.2 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 126.504 1.922 . . . . 0.0 108.357 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -71.38 137.73 48.61 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 170.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.6 t -135.01 110.69 12.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.89 142.28 57.96 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.321 0.581 . . . . 0.0 110.21 168.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.6 mt -120.65 -30.39 4.5 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 124.537 1.135 . . . . 0.0 110.338 -168.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -153.69 171.19 19.22 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 125.875 1.67 . . . . 0.0 107.133 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -60.05 -11.79 6.71 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.856 1.662 . . . . 0.0 113.109 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -137.46 14.17 2.98 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.057 1.343 . . . . 0.0 112.601 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.7 m -148.32 143.35 26.84 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 121.243 -0.911 . . . . 0.0 111.339 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -148.89 156.22 41.99 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 126.453 1.901 . . . . 0.0 108.273 -177.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.55 -178.65 16.44 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 170.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.0 tp -130.47 103.52 6.71 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 -169.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.9 t -60.34 115.13 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 163.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -71.84 146.46 47.95 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.212 0.915 . . . . 0.0 108.698 172.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.5 tt -52.84 -36.76 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 120.95 -1.094 . . . . 0.0 112.947 -172.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -66.39 -8.05 23.12 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.858 1.263 . . . . 0.0 113.798 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -115.52 2.79 13.91 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.95 1.7 . . . . 0.0 111.361 -175.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.9 t -73.28 -38.45 54.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.256 -178.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 m -156.7 155.5 31.8 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -69.45 -40.9 76.88 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 120.735 -1.228 . . . . 0.0 112.653 177.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.04 153.4 38.54 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 169.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -59.19 120.94 10.14 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.197 0.599 . . . . 0.0 110.539 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.1 t -82.07 69.91 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 125.351 1.461 . . . . 0.0 107.931 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -58.26 -30.76 66.83 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -148.33 128.53 13.76 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 166.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.9 tt -64.72 -33.52 63.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -174.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -16.56 64.4 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 176.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -82.06 -5.06 58.1 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.008 0.822 . . . . 0.0 111.623 170.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -129.5 -10.24 4.57 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 121.006 -1.059 . . . . 0.0 113.659 -169.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.9 tp -156.35 175.63 13.75 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 125.42 1.488 . . . . 0.0 109.426 167.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.1 m -144.21 132.12 21.48 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.824 0.85 . . . . 0.0 109.074 -172.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.9 t -64.88 148.71 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 170.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.28 29.0 72.08 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-O 118.719 -1.045 . . . . 0.0 111.78 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -122.38 158.83 28.8 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -96.94 134.92 39.66 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.777 1.231 . . . . 0.0 110.346 176.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.0 m -142.47 143.31 26.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 124.427 1.091 . . . . 0.0 108.905 -169.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.37 141.55 41.47 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 165.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -138.61 133.17 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 124.727 1.211 . . . . 0.0 109.619 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -86.88 132.95 33.67 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 166.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.2 t -66.35 117.11 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 167.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.3 tp -101.06 -34.38 9.76 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 123.62 0.768 . . . . 0.0 111.371 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.43 162.25 40.8 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 124.749 1.22 . . . . 0.0 108.926 173.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.3 p -147.17 143.67 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.809 1.243 . . . . 0.0 107.961 166.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -143.53 104.99 4.29 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 125.308 1.443 . . . . 0.0 107.358 176.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -77.47 -20.85 53.77 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 123.831 0.852 . . . . 0.0 112.849 -175.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.38 -42.13 59.8 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.807 0.73 . . . . 0.0 110.31 173.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -71.49 -21.46 61.93 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 121.289 -0.882 . . . . 0.0 111.487 168.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.58 53.23 40.05 Favored Glycine 0 CA--C 1.524 0.643 0 CA-C-O 119.038 -0.868 . . . . 0.0 111.619 -173.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -142.04 158.87 43.25 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.644 1.178 . . . . 0.0 110.306 -172.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 69.5 mt -138.58 136.23 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 173.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 m -106.35 147.35 29.33 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 170.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.6 mt -133.86 166.71 22.04 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.782 0.833 . . . . 0.0 109.976 -168.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.3 t -133.45 146.01 50.77 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 168.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.7 mm -104.4 -45.82 9.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 126.449 1.9 . . . . 0.0 108.082 174.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -57.29 -27.63 62.3 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 123.908 0.883 . . . . 0.0 112.613 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.34 -10.41 54.73 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 117.493 -1.241 . . . . 0.0 114.268 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.0 t -146.56 -26.03 0.42 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 120.506 1.503 . . . . 0.0 113.134 -168.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -141.44 -164.18 1.71 Allowed 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.527 -1.358 . . . . 0.0 109.427 169.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -130.43 -169.95 2.24 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.488 1.115 . . . . 0.0 109.61 167.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.66 147.2 15.6 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 123.197 0.599 . . . . 0.0 111.367 169.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.32 -36.29 98.92 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 123.154 2.569 . . . . 0.0 113.624 173.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 53.14 23.11 2.88 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.351 1.461 . . . . 0.0 113.163 -176.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -63.23 145.19 56.04 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 120.82 -1.175 . . . . 0.0 109.631 171.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -133.83 -171.32 2.7 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 125.051 1.34 . . . . 0.0 108.123 166.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.8 mp0 -58.07 133.11 55.27 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 122.23 1.014 . . . . 0.0 109.639 170.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.9 m -70.86 -22.67 62.27 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.455 -1.403 . . . . 0.0 112.487 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -142.51 161.77 48.09 Favored Pre-proline 0 CA--C 1.538 0.5 0 C-N-CA 126.193 1.797 . . . . 0.0 108.169 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -61.47 161.3 24.46 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.635 2.223 . . . . 0.0 111.624 176.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -54.87 135.22 48.22 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.338 1.055 . . . . 0.0 110.791 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -152.31 148.2 20.74 Favored Pre-proline 0 CA--C 1.539 0.53 0 C-N-CA 126.614 1.966 . . . . 0.0 106.153 174.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.83 -38.81 68.37 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.151 2.568 . . . . 0.0 114.062 -177.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -139.38 141.08 37.59 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 167.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -160.14 163.41 33.76 Favored 'General case' 0 C--O 1.225 -0.184 0 C-N-CA 125.305 1.442 . . . . 0.0 109.366 173.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.08 157.03 42.71 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 126.462 1.905 . . . . 0.0 107.542 168.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -77.53 23.71 0.22 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 32.8 m -71.9 14.62 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 126.466 1.906 . . . . 0.0 114.077 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.1 m -49.33 134.66 18.34 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.64 1.576 . . . . 0.0 112.542 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.18 -29.18 70.19 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.006 0.923 . . . . 0.0 111.515 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.17 -21.66 66.33 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.126 0.971 . . . . 0.0 112.124 176.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 49.97 32.61 5.81 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.911 1.685 . . . . 0.0 113.552 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.9 m -53.68 146.85 12.53 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 125.631 1.573 . . . . 0.0 111.117 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.0 p -58.59 148.5 66.11 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 122.541 0.336 . . . . 0.0 111.589 171.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -71.16 168.49 23.14 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 121.966 1.777 . . . . 0.0 109.608 168.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.82 160.63 29.77 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.921 -0.487 . . . . 0.0 111.448 164.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.8 -38.5 3.21 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 124.12 0.867 . . . . 0.0 112.171 168.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -146.84 157.97 43.8 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.437 -1.037 . . . . 0.0 111.012 175.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -86.06 149.42 25.16 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.754 0.822 . . . . 0.0 110.824 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.5 p -131.0 -10.54 3.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.7 1.6 . . . . 0.0 112.76 170.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.1 tp -62.61 144.52 56.12 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.134 -0.979 . . . . 0.0 109.681 166.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.63 -50.75 70.0 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.617 0.367 . . . . 0.0 110.565 175.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -67.75 157.3 35.0 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 123.461 0.704 . . . . 0.0 111.456 169.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -60.7 116.66 4.56 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.493 -0.754 . . . . 0.0 110.105 174.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 59.4 tp -59.57 152.33 22.35 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.812 0.445 . . . . 0.0 110.24 165.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -135.81 150.98 49.63 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.428 1.491 . . . . 0.0 107.065 166.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -72.48 12.38 0.48 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.59 1.556 . . . . 0.0 112.319 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -134.67 16.56 3.62 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.438 1.895 . . . . 0.0 111.568 -169.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 41.7 pt -122.57 154.51 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 124.453 1.101 . . . . 0.0 109.697 167.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -60.43 -26.91 67.07 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.844 1.257 . . . . 0.0 112.088 -169.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 13.4 tpt -53.77 -35.09 60.93 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.953 0.901 . . . . 0.0 112.369 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 84.5 p -61.05 -27.28 68.22 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 65.8 t30 46.66 31.35 1.37 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.807 1.643 . . . . 0.0 112.833 -169.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.9 ttp85 -62.17 152.79 32.17 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.569 -1.332 . . . . 0.0 110.16 173.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -57.11 155.47 8.4 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.711 0.804 . . . . 0.0 111.455 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -61.02 -27.58 68.43 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 114.833 -1.076 . . . . 0.0 112.249 175.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 33.3 tp -69.68 66.93 0.23 Allowed 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.633 -1.292 . . . . 0.0 111.542 166.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -13.24 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 125.49 1.516 . . . . 0.0 114.699 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -53.5 -37.3 62.6 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.943 0.792 . . . . 0.0 112.689 165.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.3 tpmt? . . . . . 0 C--O 1.245 0.827 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.029 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.3 ttp . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.36 166.8 24.07 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.293 1.437 . . . . 0.0 109.538 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.56 153.04 20.61 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.197 0.599 . . . . 0.0 111.511 173.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -70.64 -32.52 69.85 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 56.77 162.14 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.926 1.691 . . . . 0.0 111.997 -164.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -157.57 149.9 22.63 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.0 m -51.48 135.92 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 124.571 1.148 . . . . 0.0 111.997 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.95 -9.68 59.57 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-O 117.832 -1.538 . . . . 0.0 113.878 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -65.1 163.18 15.41 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 119.597 1.699 . . . . 0.0 110.591 167.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.4 t -138.77 128.88 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -141.16 -175.2 4.24 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.997 1.319 . . . . 0.0 108.88 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.7 m -120.48 147.75 44.71 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.844 0.858 . . . . 0.0 108.821 175.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.6 -177.96 26.76 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 124.848 1.213 . . . . 0.0 110.168 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -121.52 136.57 54.94 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 117.598 0.699 . . . . 0.0 110.464 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 t -70.27 125.49 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -177.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -112.23 -9.24 13.92 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 125.228 1.411 . . . . 0.0 112.004 -171.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.74 169.35 42.04 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 169.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.4 mt -123.27 159.14 29.39 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 125.064 1.345 . . . . 0.0 108.278 170.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -148.13 159.74 43.62 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 126.25 1.82 . . . . 0.0 106.824 173.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.76 -5.82 1.03 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -131.48 5.1 4.35 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.686 -1.259 . . . . 0.0 114.395 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.69 178.74 39.44 Favored Glycine 0 CA--C 1.524 0.656 0 CA-C-N 119.878 1.217 . . . . 0.0 112.712 177.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -128.03 140.62 51.86 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.931 0.892 . . . . 0.0 109.748 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -85.27 139.93 31.23 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.8 t -134.93 118.82 25.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 174.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.48 148.85 27.9 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.536 0.735 . . . . 0.0 110.84 171.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.4 mt -119.15 -30.27 5.01 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 125.636 1.574 . . . . 0.0 110.693 -174.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -157.84 162.99 38.43 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 126.733 2.013 . . . . 0.0 107.042 -178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -50.57 -21.71 1.66 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.566 1.146 . . . . 0.0 114.028 170.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -122.43 4.67 9.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.704 1.201 . . . . 0.0 111.957 -177.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 m -140.75 130.65 24.49 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 119.804 1.184 . . . . 0.0 109.952 -175.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -159.79 150.84 19.43 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.443 1.497 . . . . 0.0 108.272 -172.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.03 -173.86 20.09 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 -175.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.8 tp -135.02 127.43 30.43 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 125.831 1.652 . . . . 0.0 108.05 -168.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 p -99.65 125.53 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 166.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -70.11 150.41 46.58 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 175.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.7 tt -52.97 -36.54 24.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 124.103 0.961 . . . . 0.0 113.13 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 p -64.44 -23.32 67.24 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 175.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -98.91 2.36 46.47 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.086 1.354 . . . . 0.0 111.641 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.0 t -71.19 -32.21 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.82 176.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 74.2 m -155.48 154.05 31.24 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -175.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -78.07 36.96 0.24 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.879 1.672 . . . . 0.0 112.639 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -168.91 -175.23 38.16 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -176.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -63.06 147.71 49.94 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 117.346 0.573 . . . . 0.0 110.694 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.3 t -129.71 78.58 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 N-CA-C 105.407 -2.071 . . . . 0.0 105.407 -178.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -57.43 -30.1 64.71 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 117.621 -1.18 . . . . 0.0 113.673 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -149.75 136.14 19.08 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 124.42 1.075 . . . . 0.0 108.367 166.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.4 tt -62.4 -35.64 70.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 117.744 -1.122 . . . . 0.0 113.279 -178.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -16.88 64.42 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 120.165 1.348 . . . . 0.0 113.325 -178.336 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -78.99 -12.22 60.03 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.222 -0.924 . . . . 0.0 112.606 171.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -128.58 -16.75 4.24 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.412 1.085 . . . . 0.0 113.111 -167.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 53' ' ' SER . 4.3 tp -146.25 175.03 10.82 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.433 1.493 . . . . 0.0 109.109 169.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.421 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 49.3 m -150.06 125.56 10.25 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.734 1.213 . . . . 0.0 107.943 -170.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -61.34 148.3 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 O-C-N 121.218 -0.926 . . . . 0.0 110.741 165.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.49 32.26 67.94 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 118.911 -0.938 . . . . 0.0 112.001 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -127.15 161.86 27.49 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.821 0.848 . . . . 0.0 109.001 174.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -103.93 133.97 48.01 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.22 1.408 . . . . 0.0 109.552 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.3 m -144.91 141.97 23.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 C-N-CA 124.063 0.945 . . . . 0.0 109.217 -170.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -70.96 139.94 50.77 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 164.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -132.62 134.29 58.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 125.892 1.677 . . . . 0.0 109.205 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -88.59 131.31 35.01 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 166.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.95 115.46 2.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 123.626 0.771 . . . . 0.0 109.012 169.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.4 tp -91.61 -38.84 12.22 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 124.119 0.968 . . . . 0.0 111.235 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.63 158.49 39.77 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.947 1.299 . . . . 0.0 108.958 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.9 t -137.78 138.1 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 170.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -144.71 96.04 2.8 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -74.2 -14.46 60.94 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.718 0.807 . . . . 0.0 112.471 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -76.31 -45.33 32.89 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 119.453 1.024 . . . . 0.0 109.195 174.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -68.2 -26.18 65.59 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.392 169.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.5 45.46 59.76 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 124.021 0.819 . . . . 0.0 111.213 -169.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -133.8 158.83 42.36 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.299 -1.118 . . . . 0.0 110.538 -173.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.2 mt -135.53 138.98 47.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 171.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.0 m -107.38 151.21 25.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 167.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.4 mt -135.49 168.73 18.68 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.302 1.441 . . . . 0.0 108.307 -167.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.9 p -146.13 154.62 42.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.327 -0.858 . . . . 0.0 109.991 175.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.1 mm -125.01 -27.9 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 C-N-CA 125.567 1.547 . . . . 0.0 110.358 -176.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -57.65 -23.17 49.93 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 120.442 1.473 . . . . 0.0 112.582 169.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.61 -18.79 59.59 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.675 1.19 . . . . 0.0 114.183 173.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.0 p -123.74 -23.89 4.61 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.708 1.14 . . . . 0.0 112.309 -167.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -135.84 175.4 9.63 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.351 1.861 . . . . 0.0 108.932 -178.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -132.61 160.45 36.61 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.686 1.194 . . . . 0.0 111.228 -173.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.1 150.74 49.85 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 123.496 0.718 . . . . 0.0 111.634 173.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -66.98 162.74 36.7 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.219 1.946 . . . . 0.0 110.634 171.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -70.23 -21.01 63.05 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.133 0.573 . . . . 0.0 112.09 -176.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -151.06 155.88 39.91 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.547 1.539 . . . . 0.0 107.864 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -131.1 171.61 13.06 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.013 1.325 . . . . 0.0 107.68 169.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -135.82 157.73 46.15 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 176.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.7 m -60.87 -54.63 42.68 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.663 0.785 . . . . 0.0 110.749 -174.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.3 tttm -77.33 145.5 72.57 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.896 1.279 . . . . 0.0 109.39 171.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -51.47 153.47 10.33 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.023 2.482 . . . . 0.0 112.79 168.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.3 ptp85 -75.22 -14.63 60.54 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -172.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -59.27 147.32 75.93 Favored Pre-proline 0 CA--C 1.538 0.511 0 O-C-N 121.025 -1.047 . . . . 0.0 109.549 175.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.76 -23.67 69.09 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 122.717 2.278 . . . . 0.0 114.059 -169.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -133.4 19.15 3.97 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.476 1.111 . . . . 0.0 112.66 176.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 50.35 26.96 2.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.278 1.431 . . . . 0.0 114.007 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.19 55.89 1.58 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.244 1.018 . . . . 0.0 111.197 176.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -61.69 172.25 1.32 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.713 1.205 . . . . 0.0 113.342 176.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.9 m -124.19 149.79 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 125.906 1.683 . . . . 0.0 107.535 166.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.6 m -131.96 -24.89 2.1 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.166 0.586 . . . . 0.0 111.793 -171.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.0 mp0 -142.08 -49.88 0.38 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 126.941 2.096 . . . . 0.0 105.474 166.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -136.97 -150.97 0.38 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 129.382 3.073 . . . . 0.0 103.986 165.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.78 36.19 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.868 0 O-C-N 120.545 -1.347 . . . . 0.0 112.679 164.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 p -54.51 -50.75 67.09 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.906 1.682 . . . . 0.0 111.075 173.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.3 p -72.28 129.07 88.03 Favored Pre-proline 0 CA--C 1.539 0.538 0 C-N-CA 123.563 0.745 . . . . 0.0 109.699 165.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -70.38 -43.08 2.32 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 121.397 1.398 . . . . 0.0 110.146 169.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -144.7 168.86 19.18 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.802 2.041 . . . . 0.0 107.757 170.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.62 -176.93 34.01 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.123 0.868 . . . . 0.0 112.608 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -145.89 177.64 8.78 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.009 1.724 . . . . 0.0 108.944 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -131.69 127.02 36.02 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 124.0 0.92 . . . . 0.0 109.677 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.3 p -73.92 -47.84 34.97 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.535 1.134 . . . . 0.0 111.848 176.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.5 tp -156.92 144.13 18.78 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 125.897 1.679 . . . . 0.0 108.038 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -58.15 137.52 56.92 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.681 0.792 . . . . 0.0 109.66 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -62.41 -32.92 73.83 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.525 0.73 . . . . 0.0 112.484 -176.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -143.34 127.04 17.06 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 173.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 64.6 tp -61.87 126.26 26.72 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 123.212 0.605 . . . . 0.0 110.116 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -146.91 171.19 15.6 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.111 1.764 . . . . 0.0 106.896 169.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -125.46 -9.74 6.88 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.29 0.636 . . . . 0.0 111.814 -175.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -68.34 168.94 11.51 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 120.78 -1.2 . . . . 0.0 112.293 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 34.0 pt -64.47 -26.33 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 117.413 -1.279 . . . . 0.0 112.848 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 69.41 -34.36 0.28 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.902 2.481 . . . . 0.0 113.609 173.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 64.3 ttp -151.61 146.79 26.09 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.002 1.721 . . . . 0.0 106.717 172.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.0 m -60.05 -18.04 43.64 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.504 1.121 . . . . 0.0 114.006 -172.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -138.18 32.33 2.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.773 1.229 . . . . 0.0 111.499 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -54.69 141.46 32.14 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.194 -1.566 . . . . 0.0 109.448 167.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -53.96 140.18 31.88 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 169.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -79.5 49.98 1.07 Allowed 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 122.891 1.329 . . . . 0.0 110.666 171.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.29 137.03 58.2 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 120.321 -1.487 . . . . 0.0 110.748 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 2.0 pp -138.55 172.05 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 126.023 1.729 . . . . 0.0 109.128 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -70.6 73.71 0.55 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.15 0.98 . . . . 0.0 110.667 173.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 60.1 tptt . . . . . 0 C--O 1.252 1.236 0 CA-C-O 116.554 -1.688 . . . . 0.0 109.358 172.713 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp . . . . . 0 N--CA 1.468 0.455 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.09 -17.91 64.51 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.135 0.974 . . . . 0.0 112.393 173.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.91 172.38 12.93 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.269 1.828 . . . . 0.0 109.249 175.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -62.45 -24.73 67.59 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -67.19 141.64 57.27 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 123.907 0.883 . . . . 0.0 110.309 -174.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -148.9 154.89 40.09 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.685 1.594 . . . . 0.0 107.315 170.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.1 m -48.57 132.92 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 124.824 1.249 . . . . 0.0 111.862 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.97 -15.75 58.63 Favored Glycine 0 CA--C 1.529 0.918 0 CA-C-O 117.69 -1.617 . . . . 0.0 113.545 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -63.73 165.46 8.37 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 119.155 1.477 . . . . 0.0 111.075 177.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -139.41 125.9 23.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -145.05 -175.69 4.79 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 125.069 1.348 . . . . 0.0 109.426 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -122.21 147.7 45.86 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.743 0.817 . . . . 0.0 109.156 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.67 -177.67 30.03 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 125.361 1.458 . . . . 0.0 110.295 -174.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -126.73 134.2 50.71 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 117.865 0.833 . . . . 0.0 110.138 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 t -71.67 124.27 27.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -174.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -107.24 -12.75 15.3 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.762 1.225 . . . . 0.0 112.647 -174.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.57 164.1 34.89 Favored Glycine 0 C--N 1.334 0.425 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 170.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.0 mt -131.35 149.4 52.56 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 125.005 1.322 . . . . 0.0 108.036 175.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -154.93 157.46 37.78 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 -170.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.07 -19.61 13.72 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 175.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -106.73 -13.21 15.33 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.459 1.104 . . . . 0.0 112.785 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.22 174.19 28.62 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 119.653 1.115 . . . . 0.0 114.287 -176.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.3 127.69 55.62 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 126.063 1.745 . . . . 0.0 109.32 -173.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -78.04 142.62 38.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 170.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.11 119.49 12.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.71 145.63 51.77 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.188 1.395 . . . . 0.0 111.009 169.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.4 mt -135.66 -46.99 0.68 Allowed 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 125.461 1.504 . . . . 0.0 107.262 170.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.25 153.32 27.33 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 128.956 2.903 . . . . 0.0 104.958 168.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.74 -8.82 7.44 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 -171.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -122.09 11.18 10.18 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.142 1.377 . . . . 0.0 111.063 173.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.6 m -137.68 -3.37 1.87 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.509 1.124 . . . . 0.0 111.451 -169.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.22 161.11 0.45 Allowed 'General case' 0 C--O 1.232 0.179 0 O-C-N 120.783 -1.198 . . . . 0.0 112.453 174.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.25 -175.95 15.24 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-O 121.557 0.532 . . . . 0.0 112.78 -174.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 40.6 tp -133.99 116.17 15.22 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 125.318 1.447 . . . . 0.0 108.049 -171.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.0 t -79.92 118.62 27.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 166.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -72.36 146.54 47.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 120.133 1.333 . . . . 0.0 108.356 170.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.3 tt -53.96 -38.44 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 118.453 -0.784 . . . . 0.0 113.055 -176.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.9 m -69.41 -1.06 7.41 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 176.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -119.5 0.88 11.13 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.453 1.901 . . . . 0.0 110.167 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.4 t -77.26 -36.15 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 120.353 -1.467 . . . . 0.0 110.958 170.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 51.6 m -154.52 159.37 40.91 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.514 2.326 . . . . 0.0 105.178 172.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -60.63 -16.98 44.21 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -170.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.88 -32.23 0.18 Allowed Glycine 0 CA--C 1.524 0.621 0 CA-C-N 119.059 0.845 . . . . 0.0 112.059 170.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -75.42 34.12 0.11 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.737 1.615 . . . . 0.0 113.596 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.2 t -57.11 111.88 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 O-C-N 120.947 -1.095 . . . . 0.0 108.759 167.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -60.06 -53.83 53.15 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 170.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -160.31 144.37 14.15 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 167.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.9 tt -54.63 -33.32 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 O-C-N 121.23 -0.919 . . . . 0.0 111.772 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -73.15 -8.49 55.99 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 124.482 1.113 . . . . 0.0 112.901 178.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -98.3 -35.46 10.32 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.251 0.932 . . . . 0.0 110.472 169.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -83.15 -14.05 54.32 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.384 -0.822 . . . . 0.0 113.063 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt -147.17 170.69 16.68 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.422 2.289 . . . . 0.0 108.823 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -141.22 133.57 28.19 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.072 1.349 . . . . 0.0 108.364 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.69 149.67 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 O-C-N 121.746 -0.596 . . . . 0.0 109.873 168.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.3 33.06 83.88 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-O 119.2 -0.778 . . . . 0.0 111.704 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -124.87 161.49 26.45 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 123.978 0.911 . . . . 0.0 108.551 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -102.81 133.5 47.77 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.632 1.173 . . . . 0.0 108.722 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.6 m -143.02 142.83 25.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 C-N-CA 124.366 1.066 . . . . 0.0 109.114 -170.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -79.63 135.4 36.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 167.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.2 m -126.18 147.66 30.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 125.989 1.715 . . . . 0.0 109.244 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -99.16 130.98 45.51 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 167.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.59 117.4 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 170.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.0 tp -98.16 -35.65 10.31 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.558 0.743 . . . . 0.0 111.188 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.26 164.15 38.0 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.2 1.4 . . . . 0.0 108.903 173.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.9 t -134.0 142.0 42.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 174.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -135.04 82.65 1.97 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 175.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -64.81 -28.16 69.38 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.045 0.938 . . . . 0.0 111.909 -175.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -68.03 -42.01 81.25 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.396 0.544 . . . . 0.0 110.276 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -73.51 -24.14 60.12 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 118.499 -0.762 . . . . 0.0 111.664 171.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.7 43.4 67.66 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -169.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -133.25 162.36 31.99 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.988 1.315 . . . . 0.0 110.24 -177.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.8 mt -138.72 130.45 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 m -90.08 143.61 26.62 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 168.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.2 mt -129.49 163.82 25.08 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 123.696 0.798 . . . . 0.0 109.302 -169.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.1 t -131.21 145.98 52.14 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.1 mm -121.4 -23.89 2.89 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 C-N-CA 126.417 1.887 . . . . 0.0 109.542 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -56.46 -30.63 63.13 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 121.595 1.998 . . . . 0.0 111.745 169.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.83 -24.7 67.9 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 172.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.6 p -125.8 2.17 7.42 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.196 1.399 . . . . 0.0 112.56 -168.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -57.99 163.31 2.82 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 125.844 1.658 . . . . 0.0 112.118 -176.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -135.75 -59.03 0.76 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 114.493 -1.23 . . . . 0.0 109.591 168.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -165.16 153.23 10.26 Favored Pre-proline 0 CA--C 1.536 0.407 0 C-N-CA 125.436 1.494 . . . . 0.0 109.39 175.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.2 177.88 4.76 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 122.591 2.194 . . . . 0.0 110.847 168.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -128.35 143.47 51.01 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 125.011 1.325 . . . . 0.0 108.395 172.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -70.58 115.0 9.25 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -132.15 35.51 3.7 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.303 1.441 . . . . 0.0 108.449 -171.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -58.78 -32.99 69.81 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.711 1.205 . . . . 0.0 111.933 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.1 p -151.42 166.37 31.28 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.145 1.378 . . . . 0.0 109.904 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.05 148.88 91.84 Favored Pre-proline 0 CA--C 1.536 0.429 0 O-C-N 121.648 -0.657 . . . . 0.0 110.769 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -67.16 158.7 55.64 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.414 2.076 . . . . 0.0 110.496 170.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 50.98 28.86 4.07 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.128 1.371 . . . . 0.0 112.96 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -58.05 153.05 36.66 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.597 168.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.45 152.38 82.1 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 121.951 1.768 . . . . 0.0 109.871 169.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -63.92 128.4 35.66 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 173.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -157.67 154.39 28.27 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 125.554 1.542 . . . . 0.0 108.416 174.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.17 144.64 57.07 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.844 0.354 . . . . 0.0 110.219 168.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -156.36 178.17 10.62 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 125.189 1.396 . . . . 0.0 109.759 172.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.85 74.93 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 m -55.87 156.72 4.91 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.041 1.336 . . . . 0.0 112.21 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.8 132.64 52.86 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 168.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -86.44 -11.94 50.43 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.228 0.611 . . . . 0.0 111.636 -174.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.64 41.83 0.27 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.841 1.656 . . . . 0.0 112.604 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.5 m -59.54 -51.87 68.02 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 124.198 0.999 . . . . 0.0 111.392 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.5 m -53.62 -53.62 55.1 Favored Pre-proline 0 CA--C 1.537 0.455 0 CA-C-O 116.605 -1.664 . . . . 0.0 114.049 -174.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.33 -1.79 6.08 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 CA-C-N 122.366 1.881 . . . . 0.0 114.24 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -127.49 13.09 7.02 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.288 1.835 . . . . 0.0 110.69 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 171.08 63.72 0.04 OUTLIER Glycine 0 C--N 1.337 0.6 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 -168.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -60.03 -10.27 4.04 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.155 1.382 . . . . 0.0 114.665 -169.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -52.84 -25.63 12.1 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 174.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.8 p -56.24 -34.38 66.3 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.789 0.836 . . . . 0.0 113.085 172.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 25.4 tp -81.18 55.42 2.53 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.531 1.532 . . . . 0.0 110.737 -177.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -58.72 146.89 35.0 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.267 0.627 . . . . 0.0 109.553 174.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -156.71 151.07 25.35 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.971 1.308 . . . . 0.0 108.474 177.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -150.56 151.95 33.39 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.701 1.201 . . . . 0.0 108.576 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 51.7 tp -146.32 153.23 40.3 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 125.393 1.477 . . . . 0.0 107.52 170.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -66.92 -11.92 57.81 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -148.56 161.15 42.25 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 125.946 1.698 . . . . 0.0 107.194 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -128.64 9.82 6.01 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.206 1.003 . . . . 0.0 111.947 -168.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.9 tt -56.28 149.02 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 123.914 0.886 . . . . 0.0 110.166 169.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.5 -28.82 67.38 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.771 0.828 . . . . 0.0 111.878 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 64.9 mtt -69.98 -6.29 32.25 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 117.993 -1.003 . . . . 0.0 113.654 175.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.8 m 53.56 31.94 13.36 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.031 1.332 . . . . 0.0 111.924 -171.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 55.6 t30 49.85 22.74 0.89 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 127.104 2.162 . . . . 0.0 113.927 -173.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.8 mtp-105 -60.98 -31.29 70.88 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 120.008 -1.682 . . . . 0.0 112.202 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -64.45 -27.13 68.78 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 117.728 -1.13 . . . . 0.0 112.767 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.6 t70 21.08 -87.64 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 129.121 2.968 . . . . 0.0 114.991 -170.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 28.4 tp -145.44 50.04 1.23 Allowed 'General case' 0 C--O 1.234 0.288 0 C-N-CA 125.463 1.505 . . . . 0.0 108.775 174.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.3 tp -53.7 145.87 3.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 C-N-CA 124.235 1.014 . . . . 0.0 111.002 174.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -141.19 160.72 39.5 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.631 1.572 . . . . 0.0 108.631 175.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm . . . . . 0 C--O 1.252 1.199 0 CA-C-O 116.667 -1.635 . . . . 0.0 109.794 171.047 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.3 ttp . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.57 159.36 44.38 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 124.982 1.313 . . . . 0.0 108.924 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.43 149.57 38.11 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.696 0.799 . . . . 0.0 110.469 173.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -64.91 -29.73 70.68 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 174.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -75.04 142.59 43.74 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.982 0.913 . . . . 0.0 109.727 -174.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -144.53 153.02 41.4 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 126.174 1.79 . . . . 0.0 106.875 175.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.5 m -53.94 125.19 7.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.703 0.763 . . . . 0.0 110.436 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.33 -14.98 59.32 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-O 118.281 -1.288 . . . . 0.0 112.895 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.0 p -62.06 156.83 20.34 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.494 1.647 . . . . 0.0 110.023 171.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.27 127.61 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -142.07 -170.01 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.217 1.407 . . . . 0.0 109.153 -174.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -124.3 148.58 47.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.15 -176.08 26.95 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -127.08 136.13 51.73 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 117.571 0.685 . . . . 0.0 109.521 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 t -71.78 126.01 31.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 -173.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -113.04 -8.95 13.61 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 124.853 1.261 . . . . 0.0 112.575 -173.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.34 160.83 33.75 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 169.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.9 mt -134.96 145.41 48.13 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 175.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -154.57 158.44 39.79 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 125.266 1.426 . . . . 0.0 108.229 -172.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.19 -3.88 1.49 Allowed 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -128.53 -1.26 5.54 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.419 1.088 . . . . 0.0 113.205 177.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.89 174.88 38.48 Favored Glycine 0 C--N 1.34 0.798 0 CA-C-N 120.784 1.629 . . . . 0.0 114.275 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.05 122.81 35.42 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.844 1.658 . . . . 0.0 107.872 -176.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -78.04 139.35 39.1 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 t -134.75 114.27 17.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.38 144.11 44.54 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 172.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.1 mt -117.23 -26.98 6.58 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.504 1.521 . . . . 0.0 110.373 -170.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -161.45 162.36 30.49 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 128.002 2.521 . . . . 0.0 105.768 -175.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -57.93 -16.38 11.97 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.462 1.105 . . . . 0.0 113.558 -173.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -131.71 13.16 4.9 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.26 1.424 . . . . 0.0 111.335 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.7 m -139.73 135.53 33.24 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.412 1.005 . . . . 0.0 109.721 -173.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -149.69 157.49 43.28 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 125.321 1.448 . . . . 0.0 108.064 -175.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.65 179.7 18.54 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.321 -1.112 . . . . 0.0 110.321 170.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.4 tp -130.15 120.04 23.94 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.447 1.099 . . . . 0.0 108.519 -172.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.5 t -81.19 124.18 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 104.359 -2.46 . . . . 0.0 104.359 168.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -77.99 144.66 36.53 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 170.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.9 tt -53.01 -33.8 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -176.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -57.71 -23.01 49.6 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.375 1.47 . . . . 0.0 112.842 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -115.97 11.5 15.44 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.504 1.522 . . . . 0.0 110.808 -170.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.7 t -73.97 -25.39 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 124.162 0.985 . . . . 0.0 111.381 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 55.0 m -153.89 150.12 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 -176.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -78.99 51.11 1.09 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.724 1.209 . . . . 0.0 109.886 174.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 174.67 -176.39 46.91 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 126.323 1.916 . . . . 0.0 109.064 -173.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -60.99 157.68 14.98 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.927 0.491 . . . . 0.0 110.79 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.4 t -122.74 120.35 60.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -61.86 -51.16 69.36 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -177.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -160.4 149.95 17.59 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 128.746 2.818 . . . . 0.0 103.393 169.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.0 tt -59.15 -33.66 51.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 119.51 1.05 . . . . 0.0 111.233 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -71.48 -11.9 61.11 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.429 1.092 . . . . 0.0 111.622 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -91.6 -8.47 47.23 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.02 0.928 . . . . 0.0 111.14 173.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -125.44 -13.73 6.54 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.007 1.323 . . . . 0.0 112.582 -172.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt -146.2 175.82 10.21 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 127.169 2.188 . . . . 0.0 108.244 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.0 m -150.14 132.94 15.98 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 123.804 0.842 . . . . 0.0 109.186 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.02 148.03 12.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 172.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.49 28.27 72.57 Favored Glycine 0 CA--C 1.526 0.737 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.182 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -125.43 163.13 23.29 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -100.37 137.67 38.48 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.765 1.226 . . . . 0.0 108.087 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.4 m -144.62 145.96 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 124.188 0.995 . . . . 0.0 109.421 -174.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -82.17 139.22 34.45 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 169.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.99 135.93 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 125.503 1.521 . . . . 0.0 109.138 -174.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -97.33 132.07 43.42 Favored 'General case' 0 N--CA 1.46 0.051 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 171.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.0 t -75.22 126.28 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 124.488 1.115 . . . . 0.0 108.576 174.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -116.54 -21.26 9.26 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.407 1.083 . . . . 0.0 112.688 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.35 155.71 39.24 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.441 1.019 . . . . 0.0 108.778 169.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.4 t -139.01 139.8 39.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 170.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -142.65 99.42 3.48 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 171.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -77.54 -12.63 59.98 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.93 0.492 . . . . 0.0 112.051 -174.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -78.91 -44.99 21.49 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 175.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -69.39 -26.25 64.56 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.698 0.799 . . . . 0.0 111.003 170.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.57 46.11 56.46 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -172.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -132.23 157.0 45.47 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 124.821 1.249 . . . . 0.0 109.99 -173.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 58.5 mt -141.15 134.3 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 104.936 -2.246 . . . . 0.0 104.936 177.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 m -101.45 139.24 37.39 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 169.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.6 mt -126.21 168.8 13.57 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 124.834 1.254 . . . . 0.0 108.425 -170.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 65.3 m -145.89 150.96 37.08 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 121.63 -0.668 . . . . 0.0 109.355 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.7 mm -117.18 -18.27 7.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 C-N-CA 125.386 1.475 . . . . 0.0 109.364 177.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -52.74 -31.2 36.79 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 119.593 -1.942 . . . . 0.0 112.007 169.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.46 -24.75 62.06 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.263 1.425 . . . . 0.0 113.143 176.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.4 p -119.42 -7.36 10.2 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.667 1.187 . . . . 0.0 113.483 -169.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -58.22 -27.83 64.3 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.695 1.134 . . . . 0.0 111.33 172.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.81 121.29 16.97 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.363 0.665 . . . . 0.0 109.6 175.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 31.45 67.05 0.91 Allowed Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 127.419 2.288 . . . . 0.0 114.506 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -55.19 154.1 24.32 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.154 2.569 . . . . 0.0 112.559 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -73.24 -11.46 60.52 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.494 1.118 . . . . 0.0 111.417 171.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -55.69 148.18 16.84 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.978 1.311 . . . . 0.0 110.995 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -62.65 -29.28 70.51 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.997 0.519 . . . . 0.0 111.203 173.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -139.79 116.1 10.55 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 171.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.9 m -61.44 -36.47 80.46 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 125.428 1.491 . . . . 0.0 111.88 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -66.17 151.18 96.01 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 118.417 0.553 . . . . 0.0 109.872 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -70.57 162.31 42.93 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.667 2.911 . . . . 0.0 112.667 176.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -32.26 73.49 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.778 0.831 . . . . 0.0 110.056 169.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 85.3 mttt 64.86 80.93 0.23 Allowed Pre-proline 0 N--CA 1.469 0.494 0 C-N-CA 127.799 2.44 . . . . 0.0 112.637 -174.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -49.05 144.67 15.44 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.798 2.332 . . . . 0.0 111.783 170.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 58.62 4.2 0.35 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.274 1.83 . . . . 0.0 114.716 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -150.39 41.88 0.81 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.938 1.695 . . . . 0.0 108.141 177.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.66 127.71 14.02 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.663 1.185 . . . . 0.0 112.049 -169.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -68.66 177.2 2.59 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.492 170.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 29.8 m -55.01 157.29 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.162 0.985 . . . . 0.0 111.729 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.0 m -55.65 155.09 6.0 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.178 1.391 . . . . 0.0 112.375 -176.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -139.24 164.57 29.47 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.592 1.557 . . . . 0.0 108.154 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -65.96 -29.23 69.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.272 0.629 . . . . 0.0 111.428 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.3 114.15 1.68 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.394 1.078 . . . . 0.0 110.448 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.7 m -137.79 11.26 2.9 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.067 1.347 . . . . 0.0 111.192 -174.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.7 m -60.28 147.19 82.23 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 126.284 1.834 . . . . 0.0 110.679 -174.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -51.32 -16.19 2.96 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 124.377 3.384 . . . . 0.0 115.302 169.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -46.5 -37.14 7.44 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.811 1.245 . . . . 0.0 111.541 169.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -56.71 -38.8 84.53 Favored Glycine 0 CA--C 1.534 1.223 0 CA-C-N 118.754 0.706 . . . . 0.0 112.571 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -76.92 -50.38 13.42 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.791 0.795 . . . . 0.0 109.729 172.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -60.63 -19.53 58.31 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -172.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.2 m -56.23 -21.37 22.99 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.232 1.413 . . . . 0.0 112.644 171.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -52.28 129.37 27.95 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.286 1.403 . . . . 0.0 111.169 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -87.42 -14.2 41.2 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.561 0.744 . . . . 0.0 111.955 -169.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -151.19 158.25 43.71 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.597 1.159 . . . . 0.0 108.545 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -57.82 137.68 56.37 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 53.46 26.55 5.6 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.132 1.373 . . . . 0.0 113.18 177.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.14 141.68 45.33 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.432 -0.793 . . . . 0.0 110.148 178.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 49.3 30.12 3.04 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.746 1.218 . . . . 0.0 112.286 -172.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 43.9 m95 55.85 26.64 9.9 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.296 1.838 . . . . 0.0 113.089 -178.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 11.1 tp -58.92 128.12 19.17 Favored 'Isoleucine or valine' 0 C--N 1.343 0.305 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -77.19 91.55 3.75 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 83.6 mtp -57.58 -24.24 55.16 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.538 0.735 . . . . 0.0 112.063 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.8 m -61.68 -21.28 64.3 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.299 0.954 . . . . 0.0 112.152 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -63.36 -43.58 97.26 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 119.27 0.941 . . . . 0.0 110.995 170.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -65.66 -34.99 79.5 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.694 -0.628 . . . . 0.0 110.498 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -69.33 -5.97 26.72 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 118.146 -0.931 . . . . 0.0 112.576 173.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 26.3 t0 49.34 47.33 22.44 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.096 1.358 . . . . 0.0 110.98 -169.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 33.9 tp -135.79 55.69 1.86 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.15 1.78 . . . . 0.0 107.615 -172.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 20.5 tt -138.8 149.66 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 124.981 1.312 . . . . 0.0 108.779 -172.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -152.35 156.23 39.16 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.594 1.558 . . . . 0.0 107.394 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.3 tttt . . . . . 0 C--O 1.243 0.725 0 CA-C-O 118.327 -0.844 . . . . 0.0 109.161 174.207 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 N--CA 1.462 0.173 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 m -51.47 137.93 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 125.539 1.536 . . . . 0.0 111.421 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.15 -14.2 59.68 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-O 118.131 -1.372 . . . . 0.0 113.458 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.4 m -66.28 166.32 12.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 119.066 1.433 . . . . 0.0 110.984 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.0 t -139.15 127.9 28.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -145.12 172.72 12.69 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 124.823 1.249 . . . . 0.0 109.9 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 m -119.51 143.72 47.41 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 123.691 0.796 . . . . 0.0 109.02 -174.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.24 -172.97 24.23 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 125.131 1.348 . . . . 0.0 110.41 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -127.58 137.27 52.54 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 117.839 0.819 . . . . 0.0 110.523 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.3 t -71.16 124.86 28.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -175.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -108.3 -10.92 15.29 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.538 1.535 . . . . 0.0 112.682 -176.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -172.46 166.85 39.66 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 119.681 1.128 . . . . 0.0 111.066 171.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.4 mt -131.87 146.94 52.42 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.862 1.265 . . . . 0.0 108.07 172.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -146.29 159.72 42.96 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 126.26 1.824 . . . . 0.0 108.011 -176.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.43 -6.87 3.68 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -120.21 -6.19 9.91 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.357 1.463 . . . . 0.0 113.774 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.55 -175.29 41.29 Favored Glycine 0 CA--C 1.523 0.568 0 CA-C-N 119.895 1.225 . . . . 0.0 113.282 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.71 129.04 50.48 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 125.25 1.42 . . . . 0.0 108.447 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -78.53 139.81 38.61 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.7 t -135.64 126.05 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.57 125.7 29.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 166.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 mt . . . . . 0 C--N 1.33 -0.28 0 C-N-CA 123.587 0.755 . . . . 0.0 111.128 176.851 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.2 mt . . . . . 0 N--CA 1.465 0.294 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.7 m -140.53 128.94 22.59 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.014 1.326 . . . . 0.0 108.251 -176.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.3 p -64.34 149.06 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 O-C-N 121.244 -0.91 . . . . 0.0 109.98 168.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.53 33.29 80.96 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.293 -0.726 . . . . 0.0 111.84 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -126.47 159.79 32.35 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.928 0.891 . . . . 0.0 108.672 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -93.41 138.38 31.78 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.492 1.117 . . . . 0.0 109.354 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.8 m -143.75 148.36 18.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 124.943 1.297 . . . . 0.0 108.515 -173.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -102.47 129.96 49.14 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 171.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.7 m -124.06 147.64 28.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 126.293 1.837 . . . . 0.0 109.758 -169.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -97.14 131.54 43.8 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 168.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.3 t -67.5 117.42 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 125.093 1.357 . . . . 0.0 108.461 170.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -93.45 -41.01 10.03 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 122.63 0.372 . . . . 0.0 111.217 173.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.01 151.64 25.58 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.319 1.447 . . . . 0.0 108.166 -174.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.2 t . . . . . 0 C--N 1.328 -0.363 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.62 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 17.9 mt . . . . . 0 N--CA 1.457 -0.089 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.5 m -85.1 136.39 33.58 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 166.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.3 mt -128.27 164.4 22.66 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.617 0.767 . . . . 0.0 110.54 -168.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.4 t -133.14 153.37 51.59 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.712 1.205 . . . . 0.0 109.829 171.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.9 mm -124.4 -29.75 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 127.735 2.414 . . . . 0.0 109.93 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -57.99 -35.94 71.92 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 120.185 1.357 . . . . 0.0 110.847 169.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.341 0 C-N-CA 122.879 0.472 . . . . 0.0 111.393 174.864 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 CA--C 1.53 0.194 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 32.8 m -55.52 141.69 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 124.379 1.072 . . . . 0.0 111.718 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.62 -16.01 43.21 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 118.251 -1.305 . . . . 0.0 113.166 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -65.86 165.81 12.32 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.747 1.273 . . . . 0.0 110.546 171.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -146.49 129.67 9.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -142.12 -171.77 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.102 1.361 . . . . 0.0 109.154 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 m -117.9 150.69 38.79 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.32 -178.98 30.1 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 124.587 1.089 . . . . 0.0 110.587 -177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.61 124.04 32.76 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -172.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.4 t -66.57 127.95 28.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 C-N-CA 124.005 0.922 . . . . 0.0 108.542 -174.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.36 -11.05 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.813 1.645 . . . . 0.0 112.596 -171.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.94 167.59 38.48 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 119.62 1.1 . . . . 0.0 110.899 169.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.9 mt -125.71 150.51 47.61 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 124.829 1.252 . . . . 0.0 107.972 173.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -145.87 161.63 39.57 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 126.096 1.759 . . . . 0.0 107.721 178.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.39 -4.97 3.05 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -131.51 6.06 4.4 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.907 1.283 . . . . 0.0 113.973 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.25 179.4 38.41 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 119.496 1.044 . . . . 0.0 112.842 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.73 135.09 49.68 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.729 1.212 . . . . 0.0 109.626 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -80.28 141.28 35.66 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 174.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 t -136.54 112.83 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 175.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.55 144.84 55.42 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 169.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 C--N 1.328 -0.331 0 C-N-CA 124.399 1.08 . . . . 0.0 110.553 -169.775 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.432 ' HG ' ' H ' ' A' ' 53' ' ' SER . 4.7 tp . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.432 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 46.6 m -149.41 128.29 12.58 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.159 0.984 . . . . 0.0 108.442 -172.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.0 p -62.81 148.5 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 O-C-N 120.962 -1.086 . . . . 0.0 109.88 166.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.56 33.1 64.02 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 118.841 -0.977 . . . . 0.0 112.0 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -126.72 163.43 23.55 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 123.862 0.865 . . . . 0.0 108.764 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -111.38 124.42 52.21 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.205 1.402 . . . . 0.0 107.664 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.6 m -137.3 146.41 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 124.348 1.059 . . . . 0.0 109.467 -168.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -83.63 137.38 33.83 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 170.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.9 129.63 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 125.999 1.719 . . . . 0.0 108.109 -169.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -87.73 133.64 33.81 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 170.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.7 t -68.34 115.79 7.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 170.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.6 tp -95.72 -38.52 10.31 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 123.446 0.698 . . . . 0.0 111.282 -177.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.57 159.12 42.09 Favored 'General case' 0 N--CA 1.461 0.107 0 C-N-CA 124.27 1.028 . . . . 0.0 108.982 177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.2 t . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 106.236 -1.765 . . . . 0.0 106.236 173.368 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 C--O 1.232 0.136 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 m -109.47 150.06 28.67 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 168.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.4 mt -132.23 167.81 19.17 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.001 0.921 . . . . 0.0 108.956 -170.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.3 p -136.93 146.46 45.48 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.441 0.697 . . . . 0.0 109.701 169.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.1 mm -115.32 -23.3 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 126.892 2.077 . . . . 0.0 109.192 174.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -58.01 -26.63 62.65 Favored 'General case' 0 CA--C 1.52 -0.208 0 O-C-N 120.573 -1.329 . . . . 0.0 112.944 170.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 173.112 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.9 mp0 . . . . . 0 CA--C 1.536 0.434 0 CA-C-O 121.221 0.534 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -49.52 136.43 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 124.792 1.237 . . . . 0.0 111.149 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.81 -11.41 64.53 Favored Glycine 0 CA--C 1.533 1.208 0 CA-C-O 118.474 -1.181 . . . . 0.0 113.658 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.6 m -65.79 161.37 21.05 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.109 1.454 . . . . 0.0 110.075 171.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.9 t -128.44 127.85 67.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 172.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -137.14 178.31 7.19 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.871 1.668 . . . . 0.0 109.335 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -128.44 141.78 51.29 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.95 -176.67 27.44 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 124.354 0.978 . . . . 0.0 110.942 -173.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.96 125.51 39.64 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -171.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 t -67.19 128.61 30.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.4 -11.96 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.647 1.579 . . . . 0.0 112.847 -172.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.29 167.63 39.34 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 119.381 0.991 . . . . 0.0 110.983 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.6 mt -130.06 148.24 51.89 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 125.131 1.373 . . . . 0.0 107.596 175.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -145.81 160.96 41.02 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.443 1.897 . . . . 0.0 107.043 -177.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.14 -5.97 2.68 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 175.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -124.54 -0.63 8.1 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.65 1.18 . . . . 0.0 112.969 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.93 -179.85 37.03 Favored Glycine 0 CA--C 1.526 0.731 0 CA-C-N 120.048 1.295 . . . . 0.0 114.467 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.48 126.23 48.76 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.17 1.788 . . . . 0.0 108.638 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -77.03 141.59 40.25 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 173.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.5 t -136.83 114.97 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.27 148.88 37.27 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.8 mt . . . . . 0 C--N 1.327 -0.389 0 C-N-CA 124.711 1.204 . . . . 0.0 111.105 -171.366 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.432 ' HG ' ' H ' ' A' ' 53' ' ' SER . 5.2 tp . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.432 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 31.4 m -143.9 135.9 26.46 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.141 0.977 . . . . 0.0 108.893 -178.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.4 p -69.98 154.49 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 168.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.02 32.81 77.63 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-O 119.193 -0.782 . . . . 0.0 111.65 175.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -129.1 161.82 29.15 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -100.65 135.19 42.47 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.68 1.192 . . . . 0.0 107.804 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.9 m -142.44 145.63 23.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 C-N-CA 124.519 1.128 . . . . 0.0 108.877 -171.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -89.14 136.08 33.21 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 168.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.3 m -126.46 145.02 34.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 125.869 1.668 . . . . 0.0 109.495 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -101.08 132.61 46.45 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 168.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 t -67.56 131.06 33.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 172.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -112.25 -38.07 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.602 1.161 . . . . 0.0 111.302 -174.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.78 163.0 38.51 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.235 1.014 . . . . 0.0 109.4 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--N 1.326 -0.438 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 171.039 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 52.7 mt . . . . . 0 CA--C 1.519 -0.223 0 N-CA-C 104.647 -2.353 . . . . 0.0 104.647 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 m -88.82 142.63 27.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 174.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -128.27 170.52 12.94 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.969 1.308 . . . . 0.0 108.362 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.8 p -144.16 151.01 38.95 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 124.137 0.975 . . . . 0.0 109.807 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.2 mm -123.87 -29.66 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 126.189 1.796 . . . . 0.0 109.801 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -56.33 -29.83 61.8 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.465 1.484 . . . . 0.0 111.906 171.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.376 0 C-N-CA 123.872 0.869 . . . . 0.0 111.284 170.561 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 . . . . . 0 CA--C 1.529 0.16 0 CA-C-O 121.369 0.604 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -52.91 130.67 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 124.891 1.276 . . . . 0.0 109.985 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.6 -16.64 60.19 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-O 118.469 -1.184 . . . . 0.0 112.89 178.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 m -64.36 160.24 19.39 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.56 1.18 . . . . 0.0 110.297 172.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.5 t -122.93 139.02 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 169.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -141.33 -170.65 3.12 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.913 1.685 . . . . 0.0 107.637 -174.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.0 m -133.94 151.36 51.45 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 175.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.14 -179.86 32.39 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 174.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.44 122.72 40.4 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.7 t -65.85 125.47 23.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 C-N-CA 124.383 1.073 . . . . 0.0 108.785 -174.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -110.44 -14.35 14.12 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 125.255 1.422 . . . . 0.0 112.911 -171.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.35 171.51 44.62 Favored Glycine 0 C--N 1.333 0.392 0 CA-C-N 119.779 1.172 . . . . 0.0 111.153 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.6 mt -132.37 152.99 51.22 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 124.922 1.289 . . . . 0.0 108.621 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -145.75 160.21 42.07 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 127.167 2.187 . . . . 0.0 106.911 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.71 -5.85 4.73 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -129.85 7.09 5.14 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.01 1.324 . . . . 0.0 113.966 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.62 178.28 39.62 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-N 119.982 1.265 . . . . 0.0 114.331 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.41 128.56 48.31 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 125.532 1.533 . . . . 0.0 109.373 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -76.44 144.01 40.2 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 173.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.3 t -138.95 122.72 19.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.05 117.19 17.5 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 167.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.2 mt . . . . . 0 C--O 1.222 -0.352 0 C-N-CA 123.189 0.596 . . . . 0.0 110.15 -179.127 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.9 m -141.14 130.99 24.33 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.267 1.027 . . . . 0.0 108.578 -177.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.4 p -67.94 152.91 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 O-C-N 121.305 -0.872 . . . . 0.0 109.997 166.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.09 32.24 72.77 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 119.033 -0.87 . . . . 0.0 111.798 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -129.59 161.71 29.92 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -106.76 135.26 48.6 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 124.661 1.184 . . . . 0.0 109.043 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.7 m -144.89 141.47 23.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 124.427 1.091 . . . . 0.0 109.876 -168.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -76.11 136.43 39.84 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 166.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.67 135.17 51.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 125.21 1.404 . . . . 0.0 109.406 -173.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -84.98 136.41 33.61 Favored 'General case' 0 CA--C 1.523 -0.076 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 169.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 t -71.68 115.31 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.4 tp -100.13 -30.36 11.98 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.865 1.266 . . . . 0.0 111.527 -173.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.26 163.53 33.37 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.687 1.595 . . . . 0.0 108.484 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 170.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--O 1.233 0.217 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 m -101.57 149.45 24.09 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 167.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.6 mt -134.55 166.92 21.76 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.998 0.919 . . . . 0.0 109.782 -169.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.2 t -140.03 150.48 44.45 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 123.781 0.832 . . . . 0.0 109.344 173.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.4 mm -117.92 -32.49 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 C-N-CA 126.836 2.054 . . . . 0.0 109.352 173.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -58.39 -27.32 64.14 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 120.743 1.611 . . . . 0.0 111.738 171.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 172.788 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 t -49.2 128.41 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 125.175 1.39 . . . . 0.0 110.408 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.95 -8.66 79.21 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 117.303 -1.831 . . . . 0.0 113.523 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 m -64.36 164.8 10.68 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.466 1.633 . . . . 0.0 111.074 170.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.1 t -140.04 130.6 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -138.67 179.17 6.63 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.481 1.113 . . . . 0.0 108.966 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.1 m -109.31 149.93 28.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 169.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.32 178.43 29.53 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 124.496 1.046 . . . . 0.0 110.901 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.78 120.69 31.27 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -173.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 t -62.21 120.09 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 123.969 0.908 . . . . 0.0 109.124 -176.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.06 -17.23 19.24 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.576 1.55 . . . . 0.0 112.186 -175.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.18 169.98 41.96 Favored Glycine 0 C--N 1.335 0.496 0 CA-C-N 119.859 1.209 . . . . 0.0 110.786 173.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.2 mt -126.38 149.05 49.47 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.374 1.069 . . . . 0.0 108.452 173.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -143.12 159.53 42.11 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.735 2.014 . . . . 0.0 106.391 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.67 -7.25 6.95 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -122.44 -0.41 9.27 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.788 1.635 . . . . 0.0 113.313 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.18 -179.36 39.1 Favored Glycine 0 C--N 1.339 0.701 0 CA-C-N 119.614 1.097 . . . . 0.0 113.906 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.94 122.94 39.27 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.488 1.515 . . . . 0.0 108.636 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -70.98 139.19 50.49 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 171.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.8 t -139.24 114.4 8.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 177.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.86 146.28 55.11 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.088 0.555 . . . . 0.0 110.952 166.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 C--N 1.331 -0.2 0 C-N-CA 124.031 0.933 . . . . 0.0 110.584 -169.081 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 m -145.71 126.94 14.79 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.2 147.12 7.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 O-C-N 121.02 -1.05 . . . . 0.0 111.091 165.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.65 30.28 68.75 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.063 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -125.68 162.73 24.36 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.113 0.965 . . . . 0.0 108.63 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -108.46 131.71 54.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.952 1.301 . . . . 0.0 109.343 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.2 m -144.89 141.4 23.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 C-N-CA 124.381 1.072 . . . . 0.0 109.106 -168.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -70.3 138.65 51.7 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 163.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -134.78 137.03 51.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 125.877 1.671 . . . . 0.0 108.698 -177.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -92.21 134.03 35.26 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 169.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.55 113.47 2.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 C-N-CA 124.381 1.073 . . . . 0.0 109.9 167.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.1 tp -91.19 -36.06 14.17 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.8 0.84 . . . . 0.0 111.743 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.63 164.77 36.89 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.278 1.431 . . . . 0.0 108.783 172.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 CA--C 1.532 0.283 0 C-N-CA 124.059 0.944 . . . . 0.0 108.81 173.948 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.5 mt . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -76.98 144.7 38.55 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 166.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.8 mt -130.23 167.17 18.87 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 123.828 0.851 . . . . 0.0 110.113 -176.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 61.4 m -134.41 152.66 51.94 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.625 1.17 . . . . 0.0 109.365 173.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.8 mm -122.54 -20.05 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 125.231 1.413 . . . . 0.0 110.642 173.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -53.85 -28.85 38.44 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 119.912 -1.743 . . . . 0.0 112.38 167.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.672 0 CA-C-O 117.752 -1.118 . . . . 0.0 112.268 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--O 1.235 0.303 0 CA-C-O 121.443 0.639 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.7 t -52.6 132.74 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 125.001 1.32 . . . . 0.0 110.758 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.0 -18.31 56.35 Favored Glycine 0 CA--C 1.527 0.817 0 CA-C-O 117.92 -1.489 . . . . 0.0 112.882 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.3 m -64.24 159.03 21.65 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.364 1.582 . . . . 0.0 110.202 169.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.9 t -115.15 140.47 36.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 168.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -143.56 176.98 8.79 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.668 1.587 . . . . 0.0 107.932 -177.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -136.74 146.23 45.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -175.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.04 -172.75 28.78 Favored Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.34 125.52 38.9 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -174.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.5 t -66.15 127.42 27.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 C-N-CA 123.99 0.916 . . . . 0.0 108.748 -174.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -110.09 -12.48 14.51 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 126.11 1.764 . . . . 0.0 112.314 -173.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.79 169.25 41.9 Favored Glycine 0 C--N 1.333 0.387 0 CA-C-N 119.876 1.217 . . . . 0.0 110.848 171.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.7 mt -132.86 148.71 52.3 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 124.995 1.318 . . . . 0.0 107.928 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -146.54 163.58 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 126.594 1.958 . . . . 0.0 107.7 177.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.36 -4.99 2.1 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -127.7 0.75 6.12 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.5 179.53 41.39 Favored Glycine 0 C--N 1.34 0.775 0 CA-C-N 120.241 1.382 . . . . 0.0 114.107 174.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.13 121.09 31.85 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 126.412 1.885 . . . . 0.0 108.505 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -74.56 143.94 44.23 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 t -139.45 115.02 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.66 141.06 48.28 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 165.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.0 mt . . . . . 0 N--CA 1.465 0.28 0 C-N-CA 124.195 0.998 . . . . 0.0 110.205 -171.883 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.9 m -145.91 134.5 22.13 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.534 1.134 . . . . 0.0 108.518 -174.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.8 p -66.74 153.42 8.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 O-C-N 121.034 -1.041 . . . . 0.0 110.209 165.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.82 31.11 75.07 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.101 175.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -127.68 160.34 31.96 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 123.994 0.918 . . . . 0.0 108.551 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -92.32 138.74 31.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.725 1.21 . . . . 0.0 109.26 173.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.3 m -141.71 150.05 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 124.664 1.186 . . . . 0.0 108.752 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -108.18 127.9 54.23 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.0 m -124.14 149.12 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 126.219 1.807 . . . . 0.0 109.904 -168.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -98.17 132.74 43.43 Favored 'General case' 0 C--O 1.227 -0.119 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 164.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.47 138.44 23.1 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 65.7 tp -124.49 -31.58 3.24 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 125.026 1.331 . . . . 0.0 111.44 -172.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.92 158.9 41.4 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 168.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.5 t . . . . . 0 C--N 1.33 -0.255 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 168.373 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.0 mt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.5 m -84.65 147.4 26.97 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 118.587 0.63 . . . . 0.0 109.527 167.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.9 mt -133.6 167.23 20.86 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 125.397 1.479 . . . . 0.0 108.249 -173.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.4 p -144.15 152.61 41.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.413 0.685 . . . . 0.0 110.402 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.3 mm -128.55 -31.53 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 126.083 1.753 . . . . 0.0 109.757 -174.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -56.58 -25.79 53.49 Favored 'General case' 0 C--O 1.223 -0.336 0 O-C-N 120.097 -1.627 . . . . 0.0 112.248 167.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.496 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 173.093 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 CA--C 1.53 0.195 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.8 m -53.72 135.66 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 121.845 0.831 . . . . 0.0 110.909 -177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.16 -10.53 68.37 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-O 118.174 -1.348 . . . . 0.0 113.773 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 m -65.55 165.53 12.08 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 119.198 1.499 . . . . 0.0 110.274 169.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.6 t -141.25 130.94 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -140.75 -174.81 4.08 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.127 1.371 . . . . 0.0 109.595 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.0 m -123.62 147.28 47.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.37 -178.58 31.56 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 -172.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.07 122.29 31.78 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -171.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.03 122.25 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.29 -15.94 14.9 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 125.11 1.364 . . . . 0.0 112.558 -173.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.42 164.95 35.59 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 119.645 1.111 . . . . 0.0 111.081 173.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.8 mt -118.49 143.22 46.87 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 173.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -135.25 158.26 44.82 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 126.196 1.799 . . . . 0.0 107.984 -170.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.31 -1.56 0.78 Allowed 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -139.36 9.03 2.47 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 126.808 2.043 . . . . 0.0 112.364 -173.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.52 -167.49 33.55 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 120.179 1.354 . . . . 0.0 113.55 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.91 134.31 40.53 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 124.647 1.179 . . . . 0.0 109.672 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -79.24 142.29 36.35 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 174.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.95 115.08 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.09 140.89 57.61 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 169.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.6 mt . . . . . 0 C--N 1.327 -0.375 0 C-N-CA 124.819 1.248 . . . . 0.0 110.501 -169.912 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.546 ' HG ' ' H ' ' A' ' 53' ' ' SER . 5.3 tp . . . . . 0 N--CA 1.469 0.505 0 CA-C-O 122.574 1.178 . . . . 0.0 111.965 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.546 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 8.4 m -145.2 165.77 27.38 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 127.707 2.403 . . . . 0.0 106.435 173.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -121.62 152.23 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.778 1.231 . . . . 0.0 109.452 172.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.08 39.0 96.5 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -174.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -137.58 163.08 32.08 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.271 1.028 . . . . 0.0 108.761 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -93.03 139.48 30.49 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 124.487 1.115 . . . . 0.0 109.299 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.0 m -143.23 146.79 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 125.893 1.677 . . . . 0.0 109.03 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -88.48 137.63 32.15 Favored 'General case' 0 C--N 1.335 -0.061 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 167.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -133.49 133.12 57.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 125.658 1.583 . . . . 0.0 108.847 -169.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.06 137.48 32.31 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 169.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.52 112.28 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 169.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.4 tp -87.96 -40.06 14.22 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 123.952 0.901 . . . . 0.0 110.809 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.3 164.35 38.43 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.122 1.369 . . . . 0.0 109.495 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.473 0.72 0 C-N-CA 125.278 1.431 . . . . 0.0 108.099 168.614 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 82.3 mt . . . . . 0 N--CA 1.465 0.277 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.8 m -108.97 149.83 28.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 168.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.5 mt -131.94 168.89 17.11 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.068 0.947 . . . . 0.0 109.657 -168.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 p -142.22 152.1 42.76 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.168 0.987 . . . . 0.0 110.093 172.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 23.5 mm -123.68 -32.38 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.348 1.859 . . . . 0.0 109.886 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -55.57 -25.75 39.75 Favored 'General case' 0 C--O 1.223 -0.334 0 O-C-N 120.466 -1.396 . . . . 0.0 112.414 169.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.475 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 174.184 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.0 m -45.38 132.36 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 124.488 1.115 . . . . 0.0 112.102 172.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.8 -13.4 64.46 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-O 117.61 -1.661 . . . . 0.0 113.797 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 m -65.06 164.18 13.41 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.929 1.364 . . . . 0.0 110.697 171.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.1 t -137.52 128.49 39.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -142.67 175.13 10.04 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.798 1.239 . . . . 0.0 109.592 -178.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -119.08 143.24 47.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.972 0.909 . . . . 0.0 108.552 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.57 -175.42 24.1 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 124.778 1.18 . . . . 0.0 110.628 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -124.95 135.68 53.05 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 124.138 0.975 . . . . 0.0 109.906 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 t -73.5 126.08 33.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -175.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -118.52 -7.82 10.56 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 125.045 1.338 . . . . 0.0 112.012 -168.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.47 167.94 40.74 Favored Glycine 0 C--N 1.333 0.404 0 CA-C-N 119.502 1.046 . . . . 0.0 110.574 170.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -137.05 148.21 46.65 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 124.659 1.183 . . . . 0.0 107.814 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -149.11 155.6 40.94 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 127.379 2.271 . . . . 0.0 106.324 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.95 2.01 0.81 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 172.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -125.33 0.31 7.7 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.406 1.482 . . . . 0.0 113.9 173.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.24 177.97 38.65 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-N 120.27 1.395 . . . . 0.0 114.486 173.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.62 118.31 27.86 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 126.353 1.861 . . . . 0.0 107.863 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -71.15 139.66 50.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 173.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.1 t -136.16 111.54 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.16 131.7 46.32 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.289 0.636 . . . . 0.0 109.32 168.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--O 1.219 -0.548 0 C-N-CA 124.454 1.102 . . . . 0.0 110.688 -168.077 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 tp . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.0 m -146.96 133.48 19.77 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -174.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.49 152.76 9.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 O-C-N 121.278 -0.888 . . . . 0.0 110.617 169.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.94 31.67 81.69 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-O 119.257 -0.746 . . . . 0.0 112.003 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -125.12 160.21 29.64 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -98.0 135.25 39.98 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 124.543 1.137 . . . . 0.0 109.302 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.4 m -142.46 147.0 21.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 124.519 1.127 . . . . 0.0 108.57 -173.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.435 ' H ' ' NE2' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -98.54 132.51 43.9 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.55 0.74 . . . . 0.0 109.439 169.472 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 m -129.0 147.4 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 126.552 1.941 . . . . 0.0 109.309 -167.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -99.4 129.23 45.58 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 167.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.95 126.91 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 124.236 1.014 . . . . 0.0 108.753 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.2 tp -112.38 -32.02 6.63 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 124.392 1.077 . . . . 0.0 111.289 -173.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.07 157.72 42.01 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.398 1.079 . . . . 0.0 108.657 171.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 65.4 t . . . . . 0 C--N 1.328 -0.348 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 169.048 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.2 mt . . . . . 0 CA--C 1.529 0.159 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.8 m -98.71 150.66 21.58 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 121.468 -0.77 . . . . 0.0 109.212 167.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.4 mt -135.62 171.03 15.04 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 124.594 1.158 . . . . 0.0 109.143 -170.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.5 p -145.9 151.33 37.69 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.197 0.999 . . . . 0.0 110.106 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 21.6 mm -122.22 -26.65 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 126.411 1.884 . . . . 0.0 110.414 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -55.47 -24.58 31.92 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 120.259 1.39 . . . . 0.0 112.694 167.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 117.82 -1.086 . . . . 0.0 113.795 174.752 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 . . . . . 0 N--CA 1.464 0.241 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.1 m -48.55 136.07 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 125.173 1.389 . . . . 0.0 111.499 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.95 -9.4 63.24 Favored Glycine 0 CA--C 1.533 1.16 0 CA-C-O 118.089 -1.395 . . . . 0.0 113.626 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 m -65.63 167.07 9.61 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 119.216 1.508 . . . . 0.0 110.339 169.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.7 t -140.11 127.98 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -142.34 170.29 15.99 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 124.227 1.011 . . . . 0.0 109.765 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 m -115.95 144.33 44.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.79 -174.65 25.87 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -173.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -126.9 136.96 53.03 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 123.508 0.723 . . . . 0.0 109.96 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.9 t -73.55 124.22 30.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -172.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -108.75 -9.6 15.22 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.923 1.289 . . . . 0.0 112.534 -173.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.59 165.12 36.34 Favored Glycine 0 C--N 1.334 0.471 0 CA-C-N 119.315 0.961 . . . . 0.0 110.947 169.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.8 mt -122.64 157.41 32.25 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 124.535 1.134 . . . . 0.0 108.064 169.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -147.97 164.51 33.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 126.191 1.796 . . . . 0.0 107.418 -176.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.06 -10.15 9.26 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 175.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -135.34 7.96 3.38 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.985 1.314 . . . . 0.0 113.729 -174.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.5 178.59 42.74 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-N 119.791 1.178 . . . . 0.0 114.068 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.33 119.43 21.71 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 126.166 1.786 . . . . 0.0 108.091 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -75.35 141.4 43.34 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 176.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.6 t -136.81 113.2 12.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.07 141.38 52.81 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--N 1.329 -0.323 0 C-N-CA 124.094 0.957 . . . . 0.0 111.604 -168.05 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.9 m -158.57 127.73 5.59 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.708 0.803 . . . . 0.0 109.128 -174.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 p -63.78 150.17 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 123.31 0.644 . . . . 0.0 110.203 170.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.01 33.51 65.37 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.731 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -130.29 161.29 31.56 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.921 0.888 . . . . 0.0 108.914 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -94.72 137.28 34.02 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.617 1.167 . . . . 0.0 108.964 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.7 m -142.72 151.2 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.946 1.298 . . . . 0.0 108.718 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -103.57 130.46 50.99 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 171.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.91 146.45 32.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 126.338 1.855 . . . . 0.0 109.585 -169.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.74 137.51 33.73 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 167.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.7 t -68.88 113.16 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 170.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.7 tp -85.05 -43.31 14.04 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 124.042 0.937 . . . . 0.0 110.49 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.63 159.48 40.85 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 125.309 1.443 . . . . 0.0 108.838 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 66.5 t . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 173.75 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 N--CA 1.467 0.379 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 m -110.77 150.6 28.87 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 168.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.5 mt -135.08 166.28 23.43 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.25 1.02 . . . . 0.0 109.351 -168.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 p -140.69 152.95 45.74 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.297 1.039 . . . . 0.0 110.255 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.7 mm -128.51 -33.92 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 126.482 1.913 . . . . 0.0 110.03 -173.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -56.82 -27.96 60.8 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 120.258 1.39 . . . . 0.0 111.714 169.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.267 0 C-N-CA 124.362 1.065 . . . . 0.0 112.619 172.395 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 N--CA 1.462 0.144 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.4 m -55.78 140.55 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 122.087 0.946 . . . . 0.0 111.448 -175.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.16 -14.92 57.91 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.987 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -64.49 160.45 19.3 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.721 1.26 . . . . 0.0 110.351 173.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.8 t -136.7 125.18 35.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -142.93 173.47 11.52 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 124.491 1.117 . . . . 0.0 109.475 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.5 m -115.91 144.81 43.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.84 -174.93 24.56 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 124.617 1.103 . . . . 0.0 110.574 -172.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.46 123.99 32.93 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 -170.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.43 125.84 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -176.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -111.74 -10.27 14.06 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 125.174 1.39 . . . . 0.0 112.635 -173.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.01 166.8 37.72 Favored Glycine 0 C--N 1.334 0.458 0 CA-C-N 119.677 1.126 . . . . 0.0 111.427 169.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.0 mt -125.67 146.99 49.49 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.791 1.236 . . . . 0.0 108.298 171.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -143.95 161.22 39.29 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 126.59 1.956 . . . . 0.0 107.562 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.42 -1.28 1.1 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -132.66 2.2 3.74 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.152 1.381 . . . . 0.0 113.528 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.55 175.99 39.08 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-N 120.183 1.356 . . . . 0.0 114.441 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.72 120.18 34.92 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 126.658 1.983 . . . . 0.0 108.201 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -74.29 140.07 44.67 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 174.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.2 t -135.54 113.71 15.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.92 144.17 49.05 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 172.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 C--N 1.327 -0.388 0 C-N-CA 124.68 1.192 . . . . 0.0 110.773 -169.465 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.407 ' HG ' ' H ' ' A' ' 53' ' ' SER . 3.8 tp . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.407 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 55.8 m -149.36 139.55 22.2 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.097 1.359 . . . . 0.0 109.497 -173.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.9 t -72.62 152.34 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 168.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.19 28.86 69.4 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 119.136 -0.813 . . . . 0.0 111.462 174.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -123.39 160.34 27.02 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -99.08 134.59 41.7 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 124.439 1.096 . . . . 0.0 108.045 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.4 m -142.31 148.28 20.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 124.592 1.157 . . . . 0.0 108.425 -173.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -99.63 133.54 43.82 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 173.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.7 m -126.94 147.51 31.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 125.768 1.627 . . . . 0.0 109.494 -169.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -103.94 127.39 51.48 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 168.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.3 t -64.55 126.09 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.9 tp -112.21 -31.56 6.82 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 124.739 1.216 . . . . 0.0 111.328 -172.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.48 157.52 39.96 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.522 1.129 . . . . 0.0 108.712 171.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.1 t . . . . . 0 C--N 1.329 -0.324 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 170.653 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.1 mt . . . . . 0 C--O 1.232 0.179 0 N-CA-C 104.474 -2.417 . . . . 0.0 104.474 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.5 m -109.64 146.27 35.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 171.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -133.07 171.56 13.81 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 124.534 1.133 . . . . 0.0 109.0 -169.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 p -145.66 152.38 39.54 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.812 0.845 . . . . 0.0 110.156 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.0 mm -124.83 -32.13 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 126.353 1.861 . . . . 0.0 109.591 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -58.68 -23.78 60.03 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.879 1.218 . . . . 0.0 112.078 169.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.519 0 C-N-CA 124.104 0.962 . . . . 0.0 113.497 173.417 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 CA--C 1.53 0.207 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.0 t -53.09 129.87 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 124.455 1.102 . . . . 0.0 110.109 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.96 -13.24 67.46 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 117.873 -1.515 . . . . 0.0 113.262 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -65.14 164.68 12.64 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 119.004 1.402 . . . . 0.0 110.648 172.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.7 t -138.28 128.75 35.46 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.072 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -145.51 175.87 10.02 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.318 1.447 . . . . 0.0 109.023 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.1 m -125.42 145.34 50.11 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.87 -179.62 31.96 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -173.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -110.31 135.68 50.67 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 118.861 -0.59 . . . . 0.0 109.607 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.2 t -68.8 128.26 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -118.38 -7.32 10.7 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.056 1.342 . . . . 0.0 112.35 -171.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.68 164.57 34.87 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 119.909 1.231 . . . . 0.0 110.756 168.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt -123.55 149.37 45.34 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 124.844 1.258 . . . . 0.0 108.518 168.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -143.91 161.17 39.39 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 126.997 2.119 . . . . 0.0 107.467 177.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.05 -3.37 1.21 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -132.74 2.87 3.77 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.214 1.406 . . . . 0.0 113.687 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.02 176.07 39.97 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-N 120.042 1.292 . . . . 0.0 114.418 174.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.82 119.87 33.95 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 126.555 1.942 . . . . 0.0 108.486 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -72.34 140.14 48.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 173.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.3 t -133.72 112.93 17.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 173.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.69 147.3 45.82 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.879 0.847 . . . . 0.0 110.172 171.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.4 mt . . . . . 0 C--N 1.33 -0.269 0 C-N-CA 125.42 1.488 . . . . 0.0 110.595 -169.188 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' HG ' ' H ' ' A' ' 53' ' ' SER . 3.5 tp . . . . . 0 N--CA 1.468 0.46 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.408 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 66.1 m -148.02 134.58 19.78 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 124.763 1.225 . . . . 0.0 109.643 -168.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.4 t -67.48 151.2 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 166.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.92 39.34 93.31 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -125.47 154.39 42.12 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 168.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -92.89 133.39 36.14 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 169.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.2 m -140.02 142.76 31.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -175.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -90.56 133.55 35.0 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 171.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.09 141.2 47.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 126.56 1.944 . . . . 0.0 108.947 -169.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -93.4 132.11 37.95 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 165.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.5 t -64.78 115.04 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 171.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.3 tp -95.9 -32.69 12.52 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 124.456 1.102 . . . . 0.0 111.276 -175.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.92 161.39 38.23 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.74 1.216 . . . . 0.0 109.133 172.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.9 t . . . . . 0 CA--C 1.534 0.346 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 168.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.2 mt . . . . . 0 C--O 1.233 0.21 0 N-CA-C 105.527 -2.027 . . . . 0.0 105.527 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -109.7 149.57 29.56 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 169.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.0 mt -133.53 169.34 17.12 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 124.254 1.022 . . . . 0.0 109.478 -169.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.6 t -139.06 148.72 43.72 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.524 1.129 . . . . 0.0 108.777 175.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.2 mm -122.71 -26.03 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 127.189 2.195 . . . . 0.0 109.155 173.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.94 -29.22 62.96 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 119.291 -2.131 . . . . 0.0 111.108 168.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 117.959 -1.02 . . . . 0.0 113.523 172.265 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 . . . . . 0 N--CA 1.463 0.215 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 m -54.1 138.41 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 122.259 1.028 . . . . 0.0 111.141 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.02 -18.11 49.67 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 117.925 -1.486 . . . . 0.0 112.83 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 m -63.33 165.5 7.51 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.001 1.401 . . . . 0.0 110.751 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.6 t -138.98 127.95 29.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 -178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -140.47 177.82 7.75 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.53 1.132 . . . . 0.0 109.385 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -118.05 145.42 44.82 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.92 -176.28 27.88 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -175.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -127.31 136.12 51.49 Favored 'General case' 0 CA--C 1.512 -0.499 0 C-N-CA 123.675 0.79 . . . . 0.0 109.393 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 t -72.16 125.92 31.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 -175.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -115.81 -8.75 11.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 125.044 1.338 . . . . 0.0 112.557 -171.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -172.34 168.12 41.14 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 119.344 0.974 . . . . 0.0 110.888 170.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.3 mt -132.61 146.91 52.27 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.086 1.354 . . . . 0.0 107.399 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -143.23 160.48 40.39 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 127.044 2.138 . . . . 0.0 106.426 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.89 -4.47 2.17 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 174.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -126.58 4.34 6.82 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.828 1.251 . . . . 0.0 113.017 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.4 179.96 38.84 Favored Glycine 0 CA--C 1.526 0.771 0 CA-C-N 120.148 1.34 . . . . 0.0 114.773 176.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.63 119.99 31.47 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 126.707 2.003 . . . . 0.0 108.045 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -73.65 140.29 46.03 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 174.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.3 t -135.84 112.63 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.04 143.06 50.85 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 171.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 C--N 1.327 -0.375 0 C-N-CA 124.859 1.263 . . . . 0.0 110.684 -169.226 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.429 ' HG ' ' H ' ' A' ' 53' ' ' SER . 4.5 tp . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.429 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 20.3 m -138.96 136.13 35.09 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.123 1.369 . . . . 0.0 108.147 -176.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.5 p -77.89 150.71 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 168.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.21 33.4 85.04 Favored Glycine 0 CA--C 1.531 1.045 0 CA-C-O 119.052 -0.86 . . . . 0.0 111.785 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -126.71 163.42 23.56 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.167 0.987 . . . . 0.0 108.605 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -103.34 135.87 44.16 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 125.097 1.359 . . . . 0.0 108.769 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.6 m -145.04 147.08 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.854 1.262 . . . . 0.0 109.289 -170.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -91.92 135.75 33.69 Favored 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 168.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 m -129.7 144.81 36.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 125.905 1.682 . . . . 0.0 109.885 -173.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -96.77 133.35 41.46 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 168.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.24 117.6 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 171.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.7 tp -95.33 -38.49 10.5 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.18 0.992 . . . . 0.0 110.976 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.79 159.49 40.65 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.345 1.458 . . . . 0.0 108.752 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 170.4 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 64.9 mt . . . . . 0 C--O 1.231 0.128 0 N-CA-C 104.6 -2.371 . . . . 0.0 104.6 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 m -102.6 147.88 26.25 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 170.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.5 mt -134.52 167.28 21.06 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.905 0.882 . . . . 0.0 109.447 -170.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.5 m -136.55 148.22 47.46 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 124.052 0.941 . . . . 0.0 109.844 172.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.7 mm -114.96 -24.51 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 126.867 2.067 . . . . 0.0 109.512 169.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -56.66 -27.02 57.81 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 119.955 -1.716 . . . . 0.0 112.565 171.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 174.122 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 CA--C 1.536 0.408 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.6 m -53.27 130.48 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-O 121.808 0.813 . . . . 0.0 111.361 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.26 -18.41 57.43 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-O 117.124 -1.931 . . . . 0.0 113.43 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.2 m -60.01 162.88 5.19 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.595 1.697 . . . . 0.0 111.081 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.6 t -133.22 129.66 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 105.715 -1.958 . . . . 0.0 105.715 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -140.9 175.43 9.62 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.567 0.747 . . . . 0.0 109.349 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 m -115.16 144.79 43.14 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.16 -177.86 27.99 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -125.58 137.24 53.9 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 123.238 0.615 . . . . 0.0 110.125 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.8 t -73.99 125.37 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -170.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -105.32 -14.96 15.18 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 124.992 1.317 . . . . 0.0 112.083 -173.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.37 166.24 36.06 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 119.685 1.13 . . . . 0.0 110.741 169.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -116.47 152.11 34.71 Favored 'General case' 0 C--O 1.227 -0.123 0 C-N-CA 123.876 0.87 . . . . 0.0 108.775 167.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -141.01 161.2 38.4 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.549 2.34 . . . . 0.0 106.505 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.96 -6.9 2.07 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -127.62 0.72 6.16 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.803 1.641 . . . . 0.0 112.704 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.85 -176.75 39.86 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-N 120.429 1.468 . . . . 0.0 114.742 176.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.64 118.22 28.65 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.115 1.766 . . . . 0.0 108.219 -176.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -71.81 141.55 49.67 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.777 -0.577 . . . . 0.0 109.522 172.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 t -138.33 114.14 10.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.23 143.9 52.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.155 0.582 . . . . 0.0 109.786 167.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.0 mt . . . . . 0 C--O 1.225 -0.212 0 C-N-CA 124.676 1.19 . . . . 0.0 110.579 -168.318 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.445 HD13 ' H ' ' A' ' 53' ' ' SER . 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.445 ' H ' HD13 ' A' ' 52' ' ' LEU . 50.6 m -149.42 133.87 17.53 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 123.936 0.894 . . . . 0.0 108.742 -167.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.2 t -68.39 150.82 10.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 169.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.03 29.12 72.43 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-O 119.223 -0.765 . . . . 0.0 111.762 174.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -121.12 160.67 23.21 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.052 0.941 . . . . 0.0 108.537 175.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -99.8 135.49 41.15 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.967 1.307 . . . . 0.0 109.551 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.7 m -143.52 146.34 21.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -173.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -93.66 136.53 33.84 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 122.443 0.297 . . . . 0.0 110.433 166.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.81 145.11 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 126.904 2.082 . . . . 0.0 108.432 -169.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -95.28 132.0 40.75 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 165.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.3 t -64.78 117.12 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.915 0.886 . . . . 0.0 108.907 172.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.8 tp -94.65 -38.63 10.74 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.472 1.109 . . . . 0.0 110.87 -178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.52 158.43 41.27 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 124.584 1.154 . . . . 0.0 108.561 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.328 -0.353 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 173.314 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.9 mt . . . . . 0 C--O 1.236 0.368 0 N-CA-C 105.609 -1.996 . . . . 0.0 105.609 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 m -107.27 151.1 25.91 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.831 0.853 . . . . 0.0 108.75 166.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.8 mt -137.51 167.96 20.61 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.685 1.194 . . . . 0.0 109.926 -167.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.6 m -137.88 148.85 45.74 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.914 0.886 . . . . 0.0 109.454 174.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.7 mm -116.97 -27.04 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 126.533 1.933 . . . . 0.0 109.415 170.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -56.7 -29.19 62.16 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 119.703 -1.873 . . . . 0.0 111.568 172.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.613 0 CA-C-O 117.301 -1.333 . . . . 0.0 112.73 176.736 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 N--CA 1.463 0.183 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.8 m -51.18 133.49 12.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 124.562 1.145 . . . . 0.0 110.816 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.81 -16.12 61.55 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 118.545 -1.142 . . . . 0.0 112.944 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -63.51 156.23 26.97 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.026 1.413 . . . . 0.0 109.88 173.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.3 t -121.2 137.97 53.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 172.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -144.35 -175.9 4.82 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 125.883 1.673 . . . . 0.0 108.42 -173.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.6 m -140.39 139.13 35.25 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.419 ' HA3' HD23 ' A' ' 27' ' ' LEU . . . -150.38 -179.18 25.95 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 123.707 0.67 . . . . 0.0 111.705 -175.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.01 122.06 39.31 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 -173.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.7 t -66.17 124.56 21.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -175.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -102.37 -15.24 16.6 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 125.099 1.36 . . . . 0.0 112.999 -174.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.43 169.7 42.29 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-N 119.586 1.085 . . . . 0.0 111.149 173.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.8 mt -127.03 154.52 44.54 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 125.004 1.322 . . . . 0.0 108.243 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -141.71 164.73 29.4 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 127.344 2.258 . . . . 0.0 106.692 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -12.04 17.11 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -132.7 10.43 4.33 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.14 0.976 . . . . 0.0 112.74 -176.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.11 178.07 40.81 Favored Glycine 0 C--N 1.338 0.689 0 O-C-N 120.383 -1.448 . . . . 0.0 113.855 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.18 132.4 47.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.281 1.432 . . . . 0.0 109.42 -177.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -82.6 145.94 29.42 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 174.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.2 t -138.99 129.95 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.13 139.97 29.93 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 169.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.419 HD23 ' HA3' ' A' ' 13' ' ' GLY . 36.4 mt . . . . . 0 N--CA 1.465 0.321 0 C-N-CA 123.146 0.579 . . . . 0.0 110.544 -174.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 tp . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.6 m -158.57 139.76 13.18 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.245 -0.909 . . . . 0.0 109.234 179.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.35 148.8 11.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 168.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.89 32.73 70.08 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.026 -0.874 . . . . 0.0 111.341 177.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -127.37 162.8 25.44 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 175.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -107.46 131.81 53.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.5 m -142.4 145.41 23.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 C-N-CA 124.216 1.006 . . . . 0.0 109.795 -169.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -79.54 142.04 36.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 169.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.07 148.0 27.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 124.643 1.177 . . . . 0.0 110.337 177.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -103.83 130.59 51.41 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 168.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.7 t -68.57 125.9 27.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.9 tp -111.74 -30.74 7.21 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.623 1.169 . . . . 0.0 111.473 -172.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.43 159.35 38.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.94 1.296 . . . . 0.0 108.234 173.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 CA--C 1.535 0.4 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 173.63 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 54.0 mt . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.2 m -94.45 143.6 26.27 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 169.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.3 mt -131.45 165.63 23.1 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 124.616 1.167 . . . . 0.0 108.461 -169.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 p -143.28 148.34 36.2 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.293 0.637 . . . . 0.0 109.516 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.4 mm -112.2 -42.51 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 125.245 1.418 . . . . 0.0 108.1 -178.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -55.99 -24.19 37.29 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.397 0.999 . . . . 0.0 112.871 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.533 0 C-N-CA 124.934 1.294 . . . . 0.0 113.799 176.511 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.1 t -54.36 127.94 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 124.272 1.029 . . . . 0.0 110.214 -173.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.38 -19.61 47.64 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 118.107 -1.385 . . . . 0.0 112.566 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -63.77 164.17 10.44 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.602 1.201 . . . . 0.0 111.115 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.8 t -138.17 128.49 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -144.17 -176.06 4.86 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 125.102 1.361 . . . . 0.0 109.401 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.1 m -125.34 145.81 49.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.49 178.21 33.94 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 -177.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -117.67 136.41 53.35 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 117.46 0.63 . . . . 0.0 110.071 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 t -68.57 128.43 31.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -116.7 -8.51 11.42 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 124.734 1.214 . . . . 0.0 112.525 -172.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.61 165.27 34.88 Favored Glycine 0 C--N 1.334 0.434 0 CA-C-N 119.642 1.11 . . . . 0.0 111.308 169.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -121.36 153.32 37.93 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 124.406 1.082 . . . . 0.0 109.183 169.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -142.65 161.22 38.64 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 127.186 2.194 . . . . 0.0 106.704 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.06 -6.92 4.53 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -129.92 7.31 5.13 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.124 1.37 . . . . 0.0 113.893 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.2 177.99 40.25 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 119.836 1.198 . . . . 0.0 114.621 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.36 122.21 33.08 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.124 1.77 . . . . 0.0 108.585 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -75.65 140.52 42.61 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.2 t -135.26 113.19 15.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 174.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.04 148.42 41.97 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.547 0.739 . . . . 0.0 109.683 173.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--N 1.327 -0.402 0 C-N-CA 125.043 1.337 . . . . 0.0 110.709 -169.137 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 N--CA 1.465 0.32 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.1 m -144.61 124.24 13.27 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.568 1.147 . . . . 0.0 108.718 -168.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.42 143.44 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 172.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.37 30.19 62.92 Favored Glycine 0 CA--C 1.527 0.826 0 CA-C-O 119.235 -0.758 . . . . 0.0 111.809 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -123.19 160.97 25.42 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 172.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -103.17 136.49 42.86 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 124.556 1.142 . . . . 0.0 109.305 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.2 m -143.86 145.6 21.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 C-N-CA 124.89 1.276 . . . . 0.0 108.558 -171.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -86.74 137.6 32.31 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 168.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 m -130.58 143.21 41.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 125.962 1.705 . . . . 0.0 109.477 -173.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -95.3 130.99 41.87 Favored 'General case' 0 CA--C 1.523 -0.077 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 168.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.9 t -66.3 122.18 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 171.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.2 tp -109.89 -27.95 9.0 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 124.651 1.18 . . . . 0.0 111.646 -175.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.46 160.99 40.07 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.677 1.191 . . . . 0.0 108.971 169.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 C--N 1.326 -0.438 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 168.609 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--O 1.232 0.174 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 m -110.41 148.47 31.95 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 169.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.6 mt -134.0 167.89 19.79 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 124.262 1.025 . . . . 0.0 109.682 -168.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.2 t -137.0 151.52 49.08 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.528 1.131 . . . . 0.0 109.467 172.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.3 mm -123.98 -28.73 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 127.11 2.164 . . . . 0.0 109.715 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -56.66 -29.47 62.34 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 120.857 1.662 . . . . 0.0 111.409 168.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.379 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 174.926 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 . . . . . 0 CA--C 1.53 0.18 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 m -55.17 142.0 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 124.617 1.167 . . . . 0.0 111.674 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.86 -12.22 53.93 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-O 117.976 -1.458 . . . . 0.0 113.557 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 m -65.33 165.68 11.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 119.059 1.429 . . . . 0.0 110.726 172.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.5 t -139.63 127.11 25.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -140.64 179.97 6.38 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.458 1.103 . . . . 0.0 109.324 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.2 m -121.95 143.54 49.41 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.79 -178.97 29.64 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -174.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -121.49 136.49 54.95 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 117.607 0.703 . . . . 0.0 110.215 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.3 t -71.69 126.74 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 -175.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -115.1 -7.25 12.49 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.877 1.271 . . . . 0.0 112.227 -171.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.35 165.7 37.32 Favored Glycine 0 C--N 1.331 0.304 0 CA-C-N 119.384 0.993 . . . . 0.0 110.734 169.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.2 mt -130.78 148.76 52.6 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 124.871 1.268 . . . . 0.0 107.802 173.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -146.97 158.22 43.86 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.521 1.928 . . . . 0.0 106.857 -176.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.64 -3.06 1.97 Allowed 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -130.33 6.12 4.86 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.328 1.451 . . . . 0.0 114.446 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.48 178.11 39.43 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 119.81 1.186 . . . . 0.0 114.532 175.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.68 120.89 29.02 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 126.242 1.817 . . . . 0.0 108.57 -177.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -74.5 141.35 44.89 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 173.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.0 t -137.25 111.55 9.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 176.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.14 142.47 55.74 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.114 0.566 . . . . 0.0 109.692 168.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 C--N 1.33 -0.27 0 C-N-CA 123.186 0.594 . . . . 0.0 111.296 -167.847 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 C--O 1.223 -0.295 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 m -142.47 124.31 15.15 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -175.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.1 p -59.28 145.52 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 O-C-N 121.204 -0.935 . . . . 0.0 110.561 167.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.38 32.34 71.84 Favored Glycine 0 CA--C 1.526 0.756 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.107 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -126.87 161.77 27.48 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.95 0.9 . . . . 0.0 108.805 174.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -101.67 135.57 42.98 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.643 1.177 . . . . 0.0 109.916 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.9 m -144.24 143.42 23.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 C-N-CA 125.052 1.341 . . . . 0.0 109.083 -172.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -80.51 138.14 36.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 166.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 m -132.61 146.32 33.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 126.136 1.774 . . . . 0.0 109.901 -177.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -95.38 134.04 38.64 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 167.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.76 113.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 168.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -90.15 -41.83 11.41 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.412 0.685 . . . . 0.0 111.164 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.92 166.19 33.27 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 125.491 1.516 . . . . 0.0 108.777 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.467 0.379 0 C-N-CA 124.813 1.245 . . . . 0.0 108.783 173.449 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 78.1 mt . . . . . 0 CA--C 1.522 -0.103 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 m -96.28 145.96 25.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 166.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.1 mt -132.82 166.33 22.52 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 123.68 0.792 . . . . 0.0 110.096 -170.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 m -135.27 150.3 50.0 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 123.949 0.9 . . . . 0.0 109.889 171.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.5 mm -117.59 -24.73 3.26 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 C-N-CA 125.917 1.687 . . . . 0.0 110.403 171.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -54.45 -27.16 35.39 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.923 1.238 . . . . 0.0 113.297 169.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 176.772 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 . . . . . 0 C--O 1.235 0.326 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.1 m -54.89 140.62 12.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 124.595 1.158 . . . . 0.0 112.538 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.9 -21.95 27.81 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 117.261 -1.855 . . . . 0.0 112.969 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 m -63.19 164.58 8.47 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 118.798 1.299 . . . . 0.0 110.955 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.9 t -138.94 129.63 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -140.93 -175.28 4.25 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.933 1.293 . . . . 0.0 109.576 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -120.51 146.15 46.57 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.32 -176.0 24.51 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 124.966 1.27 . . . . 0.0 110.16 -177.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -125.97 135.08 51.42 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 117.864 0.832 . . . . 0.0 110.372 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.2 t -70.85 126.89 32.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -174.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -111.66 -11.83 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.948 1.299 . . . . 0.0 112.21 -173.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.75 166.0 35.46 Favored Glycine 0 C--N 1.334 0.44 0 O-C-N 120.957 -1.089 . . . . 0.0 110.899 168.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.6 mt -118.93 151.06 38.83 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 123.994 0.918 . . . . 0.0 108.851 167.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -141.89 160.43 40.22 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 127.35 2.26 . . . . 0.0 106.429 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -7.53 4.12 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -120.28 -2.64 10.07 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.649 1.58 . . . . 0.0 113.499 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.95 -178.05 39.51 Favored Glycine 0 C--N 1.339 0.721 0 CA-C-N 120.181 1.355 . . . . 0.0 114.326 -178.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.87 120.01 32.2 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 126.504 1.922 . . . . 0.0 108.357 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -71.38 137.73 48.61 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 170.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.6 t -135.01 110.69 12.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.89 142.28 57.96 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.321 0.581 . . . . 0.0 110.21 168.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.6 mt . . . . . 0 C--O 1.224 -0.266 0 C-N-CA 124.537 1.135 . . . . 0.0 110.338 -168.463 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.9 tp . . . . . 0 C--O 1.224 -0.247 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.1 m -144.21 132.12 21.48 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.824 0.85 . . . . 0.0 109.074 -172.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.9 t -64.88 148.71 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 170.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.28 29.0 72.08 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-O 118.719 -1.045 . . . . 0.0 111.78 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -122.38 158.83 28.8 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -96.94 134.92 39.66 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.777 1.231 . . . . 0.0 110.346 176.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.0 m -142.47 143.31 26.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 124.427 1.091 . . . . 0.0 108.905 -169.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.37 141.55 41.47 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 165.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -138.61 133.17 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 124.727 1.211 . . . . 0.0 109.619 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -86.88 132.95 33.67 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 166.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.2 t -66.35 117.11 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 167.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.3 tp -101.06 -34.38 9.76 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 123.62 0.768 . . . . 0.0 111.371 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.43 162.25 40.8 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 124.749 1.22 . . . . 0.0 108.926 173.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 CA--C 1.533 0.325 0 C-N-CA 124.809 1.243 . . . . 0.0 107.961 166.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 69.5 mt . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 m -106.35 147.35 29.33 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 170.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.6 mt -133.86 166.71 22.04 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.782 0.833 . . . . 0.0 109.976 -168.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.3 t -133.45 146.01 50.77 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 168.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.7 mm -104.4 -45.82 9.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 126.449 1.9 . . . . 0.0 108.082 174.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -57.29 -27.63 62.3 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 123.908 0.883 . . . . 0.0 112.613 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 117.493 -1.241 . . . . 0.0 114.268 177.695 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 . . . . . 0 CA--C 1.529 0.151 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.0 m -51.48 135.92 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 124.571 1.148 . . . . 0.0 111.997 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.95 -9.68 59.57 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-O 117.832 -1.538 . . . . 0.0 113.878 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -65.1 163.18 15.41 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 119.597 1.699 . . . . 0.0 110.591 167.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.4 t -138.77 128.88 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -141.16 -175.2 4.24 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.997 1.319 . . . . 0.0 108.88 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.7 m -120.48 147.75 44.71 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.844 0.858 . . . . 0.0 108.821 175.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.6 -177.96 26.76 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 124.848 1.213 . . . . 0.0 110.168 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -121.52 136.57 54.94 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 117.598 0.699 . . . . 0.0 110.464 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 t -70.27 125.49 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -177.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -112.23 -9.24 13.92 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 125.228 1.411 . . . . 0.0 112.004 -171.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.74 169.35 42.04 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 169.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.4 mt -123.27 159.14 29.39 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 125.064 1.345 . . . . 0.0 108.278 170.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -148.13 159.74 43.62 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 126.25 1.82 . . . . 0.0 106.824 173.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.76 -5.82 1.03 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -131.48 5.1 4.35 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.686 -1.259 . . . . 0.0 114.395 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.69 178.74 39.44 Favored Glycine 0 CA--C 1.524 0.656 0 CA-C-N 119.878 1.217 . . . . 0.0 112.712 177.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -128.03 140.62 51.86 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.931 0.892 . . . . 0.0 109.748 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -85.27 139.93 31.23 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.8 t -134.93 118.82 25.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 174.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.48 148.85 27.9 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.536 0.735 . . . . 0.0 110.84 171.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.4 mt . . . . . 0 N--CA 1.464 0.261 0 C-N-CA 125.636 1.574 . . . . 0.0 110.693 -174.395 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 53' ' ' SER . 4.3 tp . . . . . 0 CA--C 1.533 0.292 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.421 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 49.3 m -150.06 125.56 10.25 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.734 1.213 . . . . 0.0 107.943 -170.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -61.34 148.3 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 O-C-N 121.218 -0.926 . . . . 0.0 110.741 165.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.49 32.26 67.94 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 118.911 -0.938 . . . . 0.0 112.001 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -127.15 161.86 27.49 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.821 0.848 . . . . 0.0 109.001 174.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -103.93 133.97 48.01 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.22 1.408 . . . . 0.0 109.552 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.3 m -144.91 141.97 23.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 C-N-CA 124.063 0.945 . . . . 0.0 109.217 -170.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -70.96 139.94 50.77 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 164.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -132.62 134.29 58.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 125.892 1.677 . . . . 0.0 109.205 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -88.59 131.31 35.01 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 166.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.95 115.46 2.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 123.626 0.771 . . . . 0.0 109.012 169.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.4 tp -91.61 -38.84 12.22 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 124.119 0.968 . . . . 0.0 111.235 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.63 158.49 39.77 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.947 1.299 . . . . 0.0 108.958 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 170.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.2 mt . . . . . 0 C--O 1.236 0.353 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.0 m -107.38 151.21 25.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 167.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.4 mt -135.49 168.73 18.68 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.302 1.441 . . . . 0.0 108.307 -167.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.9 p -146.13 154.62 42.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.327 -0.858 . . . . 0.0 109.991 175.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.1 mm -125.01 -27.9 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 C-N-CA 125.567 1.547 . . . . 0.0 110.358 -176.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -57.65 -23.17 49.93 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 120.442 1.473 . . . . 0.0 112.582 169.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.421 0 C-N-CA 124.675 1.19 . . . . 0.0 114.183 173.637 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--O 1.236 0.362 0 N-CA-C 107.315 -1.365 . . . . 0.0 107.315 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.1 m -48.57 132.92 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 124.824 1.249 . . . . 0.0 111.862 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.97 -15.75 58.63 Favored Glycine 0 CA--C 1.529 0.918 0 CA-C-O 117.69 -1.617 . . . . 0.0 113.545 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -63.73 165.46 8.37 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 119.155 1.477 . . . . 0.0 111.075 177.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -139.41 125.9 23.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -145.05 -175.69 4.79 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 125.069 1.348 . . . . 0.0 109.426 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -122.21 147.7 45.86 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.743 0.817 . . . . 0.0 109.156 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.67 -177.67 30.03 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 125.361 1.458 . . . . 0.0 110.295 -174.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -126.73 134.2 50.71 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 117.865 0.833 . . . . 0.0 110.138 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 t -71.67 124.27 27.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -174.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -107.24 -12.75 15.3 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.762 1.225 . . . . 0.0 112.647 -174.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.57 164.1 34.89 Favored Glycine 0 C--N 1.334 0.425 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 170.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.0 mt -131.35 149.4 52.56 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 125.005 1.322 . . . . 0.0 108.036 175.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -154.93 157.46 37.78 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 -170.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.07 -19.61 13.72 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 175.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -106.73 -13.21 15.33 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.459 1.104 . . . . 0.0 112.785 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.22 174.19 28.62 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 119.653 1.115 . . . . 0.0 114.287 -176.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.3 127.69 55.62 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 126.063 1.745 . . . . 0.0 109.32 -173.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -78.04 142.62 38.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 170.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.11 119.49 12.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.71 145.63 51.77 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.188 1.395 . . . . 0.0 111.009 169.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--O 1.222 -0.362 0 C-N-CA 125.461 1.504 . . . . 0.0 107.262 170.048 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -141.22 133.57 28.19 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.072 1.349 . . . . 0.0 108.364 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.69 149.67 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 O-C-N 121.746 -0.596 . . . . 0.0 109.873 168.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.3 33.06 83.88 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-O 119.2 -0.778 . . . . 0.0 111.704 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -124.87 161.49 26.45 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 123.978 0.911 . . . . 0.0 108.551 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -102.81 133.5 47.77 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.632 1.173 . . . . 0.0 108.722 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.6 m -143.02 142.83 25.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 C-N-CA 124.366 1.066 . . . . 0.0 109.114 -170.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -79.63 135.4 36.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 167.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.2 m -126.18 147.66 30.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 125.989 1.715 . . . . 0.0 109.244 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -99.16 130.98 45.51 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 167.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.59 117.4 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 170.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.0 tp -98.16 -35.65 10.31 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.558 0.743 . . . . 0.0 111.188 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.26 164.15 38.0 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.2 1.4 . . . . 0.0 108.903 173.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.9 t . . . . . 0 C--N 1.327 -0.383 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 174.864 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.8 mt . . . . . 0 C--O 1.234 0.239 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 m -90.08 143.61 26.62 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 168.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.2 mt -129.49 163.82 25.08 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 123.696 0.798 . . . . 0.0 109.302 -169.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.1 t -131.21 145.98 52.14 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.1 mm -121.4 -23.89 2.89 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 C-N-CA 126.417 1.887 . . . . 0.0 109.542 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -56.46 -30.63 63.13 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 121.595 1.998 . . . . 0.0 111.745 169.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 172.169 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 CA--C 1.529 0.162 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.5 m -53.94 125.19 7.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.703 0.763 . . . . 0.0 110.436 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.33 -14.98 59.32 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-O 118.281 -1.288 . . . . 0.0 112.895 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.0 p -62.06 156.83 20.34 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.494 1.647 . . . . 0.0 110.023 171.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.27 127.61 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -142.07 -170.01 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.217 1.407 . . . . 0.0 109.153 -174.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -124.3 148.58 47.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.15 -176.08 26.95 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -127.08 136.13 51.73 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 117.571 0.685 . . . . 0.0 109.521 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 t -71.78 126.01 31.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 -173.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -113.04 -8.95 13.61 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 124.853 1.261 . . . . 0.0 112.575 -173.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.34 160.83 33.75 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 169.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.9 mt -134.96 145.41 48.13 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 175.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -154.57 158.44 39.79 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 125.266 1.426 . . . . 0.0 108.229 -172.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.19 -3.88 1.49 Allowed 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -128.53 -1.26 5.54 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.419 1.088 . . . . 0.0 113.205 177.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.89 174.88 38.48 Favored Glycine 0 C--N 1.34 0.798 0 CA-C-N 120.784 1.629 . . . . 0.0 114.275 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.05 122.81 35.42 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.844 1.658 . . . . 0.0 107.872 -176.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -78.04 139.35 39.1 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 t -134.75 114.27 17.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.38 144.11 44.54 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 172.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.1 mt . . . . . 0 C--N 1.326 -0.424 0 C-N-CA 125.504 1.521 . . . . 0.0 110.373 -170.799 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 CA--C 1.533 0.305 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.0 m -150.14 132.94 15.98 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 123.804 0.842 . . . . 0.0 109.186 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.02 148.03 12.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 172.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.49 28.27 72.57 Favored Glycine 0 CA--C 1.526 0.737 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.182 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -125.43 163.13 23.29 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -100.37 137.67 38.48 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.765 1.226 . . . . 0.0 108.087 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.4 m -144.62 145.96 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 124.188 0.995 . . . . 0.0 109.421 -174.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -82.17 139.22 34.45 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 169.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.99 135.93 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 125.503 1.521 . . . . 0.0 109.138 -174.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -97.33 132.07 43.42 Favored 'General case' 0 N--CA 1.46 0.051 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 171.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.0 t -75.22 126.28 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 124.488 1.115 . . . . 0.0 108.576 174.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -116.54 -21.26 9.26 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.407 1.083 . . . . 0.0 112.688 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.35 155.71 39.24 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.441 1.019 . . . . 0.0 108.778 169.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.4 t . . . . . 0 C--N 1.328 -0.347 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 170.874 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 58.5 mt . . . . . 0 C--O 1.234 0.273 0 N-CA-C 104.936 -2.246 . . . . 0.0 104.936 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 m -101.45 139.24 37.39 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 169.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.6 mt -126.21 168.8 13.57 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 124.834 1.254 . . . . 0.0 108.425 -170.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 65.3 m -145.89 150.96 37.08 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 121.63 -0.668 . . . . 0.0 109.355 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.7 mm -117.18 -18.27 7.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 C-N-CA 125.386 1.475 . . . . 0.0 109.364 177.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -52.74 -31.2 36.79 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 119.593 -1.942 . . . . 0.0 112.007 169.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.476 0 C-N-CA 125.263 1.425 . . . . 0.0 113.143 176.24 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 N--CA 1.469 0.501 0 CA-C-O 117.94 -1.029 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.73 164.71 18.89 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 125.465 1.506 . . . . 0.0 108.646 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.98 151.69 27.25 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 125.304 1.442 . . . . 0.0 108.914 169.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -150.75 27.07 0.73 Allowed 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.03 1.332 . . . . 0.0 112.202 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -133.43 167.93 19.53 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.459 1.904 . . . . 0.0 107.219 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -143.85 147.98 34.84 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 123.711 0.804 . . . . 0.0 108.844 177.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 m -51.47 137.93 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 125.539 1.536 . . . . 0.0 111.421 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.15 -14.2 59.68 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-O 118.131 -1.372 . . . . 0.0 113.458 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.4 m -66.28 166.32 12.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 119.066 1.433 . . . . 0.0 110.984 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.0 t -139.15 127.9 28.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -145.12 172.72 12.69 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 124.823 1.249 . . . . 0.0 109.9 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 m -119.51 143.72 47.41 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 123.691 0.796 . . . . 0.0 109.02 -174.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.24 -172.97 24.23 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 125.131 1.348 . . . . 0.0 110.41 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -127.58 137.27 52.54 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 117.839 0.819 . . . . 0.0 110.523 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.3 t -71.16 124.86 28.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -175.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.1 p -108.3 -10.92 15.29 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.538 1.535 . . . . 0.0 112.682 -176.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -172.46 166.85 39.66 Favored Glycine 0 CA--C 1.52 0.361 0 CA-C-N 119.681 1.128 . . . . 0.0 111.066 171.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.4 mt -131.87 146.94 52.42 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.862 1.265 . . . . 0.0 108.07 172.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -146.29 159.72 42.96 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 126.26 1.824 . . . . 0.0 108.011 -176.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.43 -6.87 3.68 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -120.21 -6.19 9.91 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.357 1.463 . . . . 0.0 113.774 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 165.55 -175.29 41.29 Favored Glycine 0 CA--C 1.523 0.568 0 CA-C-N 119.895 1.225 . . . . 0.0 113.282 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.71 129.04 50.48 Favored 'General case' 0 CA--C 1.517 -0.308 0 C-N-CA 125.25 1.42 . . . . 0.0 108.447 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -78.53 139.81 38.61 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.7 t -135.64 126.05 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.57 125.7 29.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 166.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.3 mt -98.73 -34.58 10.47 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.587 0.755 . . . . 0.0 111.128 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -159.7 165.94 31.55 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.195 1.398 . . . . 0.0 108.257 -176.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -54.38 -21.23 9.02 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.211 1.005 . . . . 0.0 112.881 171.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -119.78 10.53 11.66 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.064 1.346 . . . . 0.0 111.984 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.4 m -149.84 133.77 17.0 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.732 1.151 . . . . 0.0 111.128 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -150.63 132.89 15.44 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 -171.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -136.01 -179.31 16.51 Favored Glycine 0 CA--C 1.524 0.594 0 CA-C-N 119.015 0.825 . . . . 0.0 113.145 -175.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.5 tp -131.73 104.54 6.96 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 125.066 1.346 . . . . 0.0 108.363 -168.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.4 t -67.14 115.53 5.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 N-CA-C 105.159 -2.163 . . . . 0.0 105.159 166.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -74.23 145.25 44.25 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.5 tt -56.83 -35.58 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.1 -1.0 . . . . 0.0 112.691 -175.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -66.17 -5.36 9.85 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.974 1.31 . . . . 0.0 113.672 175.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -123.86 0.35 8.6 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.121 2.168 . . . . 0.0 110.454 -176.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.4 t -72.88 -39.88 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 O-C-N 120.737 -1.227 . . . . 0.0 110.921 173.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 86.5 m -152.67 159.58 43.18 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -60.2 -28.29 67.85 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -170.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 179.32 179.65 48.76 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 27.0 t80 47.74 43.29 16.72 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.276 1.431 . . . . 0.0 111.926 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 t -78.89 59.13 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.449 1.1 . . . . 0.0 109.256 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -53.93 -36.04 62.36 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.44 1.096 . . . . 0.0 113.349 -170.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -152.89 140.05 19.37 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 169.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.3 tt -66.6 -32.37 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 117.791 -1.099 . . . . 0.0 112.785 -173.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -19.03 65.74 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.556 1.071 . . . . 0.0 112.885 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -78.43 -4.34 47.84 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 122.677 0.391 . . . . 0.0 111.606 175.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -133.16 -21.97 2.05 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.826 1.25 . . . . 0.0 113.252 -169.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.2 mt -144.76 168.36 20.39 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.893 1.677 . . . . 0.0 109.157 177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.7 m -140.53 128.94 22.59 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.014 1.326 . . . . 0.0 108.251 -176.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.3 p -64.34 149.06 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 O-C-N 121.244 -0.91 . . . . 0.0 109.98 168.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.53 33.29 80.96 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.293 -0.726 . . . . 0.0 111.84 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -126.47 159.79 32.35 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.928 0.891 . . . . 0.0 108.672 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -93.41 138.38 31.78 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.492 1.117 . . . . 0.0 109.354 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.8 m -143.75 148.36 18.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 124.943 1.297 . . . . 0.0 108.515 -173.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -102.47 129.96 49.14 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 171.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.7 m -124.06 147.64 28.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 126.293 1.837 . . . . 0.0 109.758 -169.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -97.14 131.54 43.8 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 168.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.3 t -67.5 117.42 8.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 125.093 1.357 . . . . 0.0 108.461 170.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -93.45 -41.01 10.03 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 122.63 0.372 . . . . 0.0 111.217 173.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.01 151.64 25.58 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.319 1.447 . . . . 0.0 108.166 -174.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.2 t -124.06 145.09 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -131.66 77.2 1.76 Allowed 'General case' 0 C--O 1.235 0.312 0 C-N-CA 125.419 1.488 . . . . 0.0 108.449 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -54.37 -24.24 18.77 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 126.203 1.801 . . . . 0.0 112.636 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -55.78 -34.11 64.98 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.185 0.994 . . . . 0.0 111.204 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -128.99 -0.05 5.27 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.48 1.112 . . . . 0.0 112.408 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.15 25.11 65.99 Favored Glycine 0 CA--C 1.533 1.166 0 CA-C-N 118.463 0.574 . . . . 0.0 112.714 -171.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -86.75 163.43 17.3 Favored 'General case' 0 C--O 1.23 0.07 0 CA-C-N 118.243 1.022 . . . . 0.0 109.885 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 17.9 mt -143.52 135.36 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.5 m -85.1 136.39 33.58 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 166.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.3 mt -128.27 164.4 22.66 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 123.617 0.767 . . . . 0.0 110.54 -168.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.4 t -133.14 153.37 51.59 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.712 1.205 . . . . 0.0 109.829 171.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 20.9 mm -124.4 -29.75 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 127.735 2.414 . . . . 0.0 109.93 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.5 ptt180 -57.99 -35.94 71.92 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 120.185 1.357 . . . . 0.0 110.847 169.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.7 -48.65 80.4 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 122.879 0.472 . . . . 0.0 111.393 174.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.7 p -82.24 -36.08 27.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 118.343 0.52 . . . . 0.0 111.715 -170.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.21 -31.12 72.19 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.926 0.785 . . . . 0.0 111.468 174.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.85 -28.66 61.7 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 175.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.6 149.12 96.99 Favored Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 118.609 0.64 . . . . 0.0 111.625 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -71.4 174.13 11.33 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 122.851 2.367 . . . . 0.0 110.942 169.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -148.08 173.66 12.71 Favored 'General case' 0 C--O 1.242 0.663 0 C-N-CA 123.954 0.902 . . . . 0.0 110.236 171.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -59.42 121.25 11.03 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 171.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -82.95 62.08 6.31 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 124.576 1.15 . . . . 0.0 109.5 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -138.21 156.45 47.69 Favored 'General case' 0 C--O 1.246 0.901 0 C-N-CA 125.506 1.522 . . . . 0.0 108.01 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.5 m -58.74 147.56 32.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 122.589 1.185 . . . . 0.0 111.899 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -141.69 158.58 62.5 Favored Pre-proline 0 N--CA 1.467 0.398 0 C-N-CA 126.232 1.813 . . . . 0.0 107.26 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -48.8 -29.08 14.04 Favored 'Trans proline' 0 CA--C 1.535 0.541 0 C-N-CA 124.614 3.542 . . . . 0.0 117.508 -169.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -110.76 -5.47 14.96 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 117.674 -1.155 . . . . 0.0 113.992 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -55.47 -33.58 18.61 Favored Pre-proline 0 CA--C 1.54 0.561 0 CA-C-O 116.436 -1.745 . . . . 0.0 114.414 168.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -57.51 -15.02 18.33 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.777 2.318 . . . . 0.0 115.461 169.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.8 tptt 49.63 52.75 13.97 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.685 1.594 . . . . 0.0 110.695 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -58.62 -18.25 28.8 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 -176.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.19 -17.93 62.94 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 173.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -57.57 150.04 20.02 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 119.0 0.818 . . . . 0.0 111.463 174.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 28.3 m -133.05 6.2 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 125.254 1.422 . . . . 0.0 111.99 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.2 m -145.25 161.35 39.77 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.446 1.499 . . . . 0.0 108.946 -177.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -60.95 145.07 51.79 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.128 0.571 . . . . 0.0 110.0 171.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -72.56 9.54 1.05 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.061 1.745 . . . . 0.0 113.275 -174.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.06 137.24 51.59 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.688 1.195 . . . . 0.0 111.522 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.0 m -72.35 -18.41 61.76 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.708 1.203 . . . . 0.0 112.227 174.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.89 159.84 48.84 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 124.987 1.315 . . . . 0.0 109.839 -169.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -81.6 -28.43 2.22 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.626 2.217 . . . . 0.0 112.484 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -78.17 -12.4 59.99 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.25 1.02 . . . . 0.0 112.845 -173.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 174.97 172.79 40.23 Favored Glycine 0 C--O 1.222 -0.6 0 C-N-CA 125.842 1.687 . . . . 0.0 108.913 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -61.14 -35.86 78.23 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.386 1.093 . . . . 0.0 111.507 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -152.2 121.18 6.61 Favored 'General case' 0 C--N 1.333 -0.128 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 168.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.91 27.15 1.83 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.91 0.884 . . . . 0.0 110.263 -168.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -52.67 135.93 33.99 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 118.727 0.694 . . . . 0.0 112.106 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -169.94 173.43 6.06 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.551 1.54 . . . . 0.0 109.415 -169.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -140.52 -43.97 0.4 Allowed 'General case' 0 N--CA 1.473 0.689 0 O-C-N 123.746 0.654 . . . . 0.0 111.274 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.03 -23.76 66.65 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.393 -0.817 . . . . 0.0 112.916 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 24.1 tp -134.85 42.62 2.79 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 124.558 1.143 . . . . 0.0 109.204 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -73.25 65.99 0.87 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 122.634 1.206 . . . . 0.0 110.83 167.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -145.62 164.41 31.81 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 127.709 2.404 . . . . 0.0 107.24 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 37.3 m95 64.1 176.15 0.18 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 127.02 2.128 . . . . 0.0 112.203 -172.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.6 tt -146.3 -31.05 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.455 1.102 . . . . 0.0 112.206 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -133.61 18.67 3.91 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.914 0.864 . . . . 0.0 110.002 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 65.3 mtt -142.48 160.94 39.3 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 126.135 1.774 . . . . 0.0 107.807 177.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.6 m -147.95 162.77 38.65 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.732 1.613 . . . . 0.0 108.33 175.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -62.35 147.32 48.71 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.81 -0.556 . . . . 0.0 110.539 170.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.1 mmt85 -66.04 164.09 16.04 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.458 0.703 . . . . 0.0 110.836 172.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -56.02 148.83 16.64 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 167.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -55.37 -26.2 39.79 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 33.0 tp -54.97 -15.19 1.83 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.838 1.655 . . . . 0.0 114.195 172.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 11.0 tp -55.23 -36.13 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 O-C-N 120.549 -1.344 . . . . 0.0 112.381 167.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -68.38 135.33 51.62 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 118.776 0.716 . . . . 0.0 109.118 176.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt . . . . . 0 C--O 1.252 1.201 0 CA-C-O 116.907 -1.521 . . . . 0.0 108.404 -179.283 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.471 0.616 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.78 149.23 40.57 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 123.679 0.612 . . . . 0.0 110.916 175.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.4 -11.67 60.55 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . 0.264 16.9 ptpt 53.47 17.08 1.03 Allowed 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 127.155 2.182 . . . . 0.0 115.467 177.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -140.64 161.48 37.67 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 125.936 1.695 . . . . 0.0 107.621 172.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -141.96 146.06 35.21 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.675 1.19 . . . . 0.0 107.883 -178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 32.8 m -55.52 141.69 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 124.379 1.072 . . . . 0.0 111.718 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.62 -16.01 43.21 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 118.251 -1.305 . . . . 0.0 113.166 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -65.86 165.81 12.32 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.747 1.273 . . . . 0.0 110.546 171.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -146.49 129.67 9.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -142.12 -171.77 3.44 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.102 1.361 . . . . 0.0 109.154 -176.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.9 m -117.9 150.69 38.79 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.32 -178.98 30.1 Favored Glycine 0 CA--C 1.524 0.612 0 C-N-CA 124.587 1.089 . . . . 0.0 110.587 -177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.61 124.04 32.76 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 -172.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.4 t -66.57 127.95 28.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 C-N-CA 124.005 0.922 . . . . 0.0 108.542 -174.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.36 -11.05 13.21 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.813 1.645 . . . . 0.0 112.596 -171.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.94 167.59 38.48 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 119.62 1.1 . . . . 0.0 110.899 169.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.9 mt -125.71 150.51 47.61 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 124.829 1.252 . . . . 0.0 107.972 173.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -145.87 161.63 39.57 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 126.096 1.759 . . . . 0.0 107.721 178.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.39 -4.97 3.05 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -131.51 6.06 4.4 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.907 1.283 . . . . 0.0 113.973 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.25 179.4 38.41 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 119.496 1.044 . . . . 0.0 112.842 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.73 135.09 49.68 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.729 1.212 . . . . 0.0 109.626 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -80.28 141.28 35.66 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 174.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.2 t -136.54 112.83 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 106.825 -1.546 . . . . 0.0 106.825 175.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.55 144.84 55.42 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 169.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.5 mt -122.21 -29.26 4.21 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 124.399 1.08 . . . . 0.0 110.553 -169.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.29 163.56 33.29 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 127.168 2.187 . . . . 0.0 106.776 -174.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.17 -15.88 4.42 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.335 1.454 . . . . 0.0 114.371 -173.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -137.71 17.02 2.88 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.762 1.225 . . . . 0.0 112.152 177.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 m -140.35 141.19 35.68 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 121.129 -0.982 . . . . 0.0 110.383 -174.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -155.41 154.82 32.53 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.571 1.548 . . . . 0.0 107.996 -169.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.03 179.9 20.23 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 38.9 tp -130.75 103.94 6.89 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 124.771 1.228 . . . . 0.0 108.654 -168.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.11 114.59 6.22 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 165.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -70.13 151.17 45.74 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 175.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.3 tt -55.69 -37.42 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 O-C-N 121.289 -0.882 . . . . 0.0 112.655 -173.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -67.06 -4.67 10.48 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.197 1.399 . . . . 0.0 113.244 177.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -121.19 -0.03 10.02 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.486 1.914 . . . . 0.0 110.549 -174.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.1 t -69.87 -43.0 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 O-C-N 121.297 -0.877 . . . . 0.0 110.653 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 84.8 m -146.52 145.94 30.33 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -175.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -77.03 53.7 0.97 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.445 1.898 . . . . 0.0 111.011 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -179.78 -173.75 45.11 Favored Glycine 0 CA--C 1.525 0.658 0 C-N-CA 125.548 1.547 . . . . 0.0 109.651 -176.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -58.94 153.68 16.89 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 117.038 0.419 . . . . 0.0 110.742 172.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.7 t -128.59 95.51 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -53.38 -47.88 69.1 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.625 0.77 . . . . 0.0 110.565 -176.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -156.1 145.42 20.74 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 126.599 1.96 . . . . 0.0 105.737 168.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.0 tt -60.24 -35.08 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 117.268 -1.349 . . . . 0.0 113.114 -174.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -17.2 64.3 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.882 1.219 . . . . 0.0 113.483 178.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -83.93 -5.04 59.14 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 118.246 0.475 . . . . 0.0 111.473 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -133.26 -17.29 2.36 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.811 1.244 . . . . 0.0 113.472 -169.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.432 ' HG ' ' H ' ' A' ' 53' ' ' SER . 4.7 tp -148.4 175.46 11.1 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.956 1.702 . . . . 0.0 108.762 169.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.432 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 46.6 m -149.41 128.29 12.58 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.159 0.984 . . . . 0.0 108.442 -172.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.0 p -62.81 148.5 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 O-C-N 120.962 -1.086 . . . . 0.0 109.88 166.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.56 33.1 64.02 Favored Glycine 0 CA--C 1.528 0.898 0 CA-C-O 118.841 -0.977 . . . . 0.0 112.0 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -126.72 163.43 23.55 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 123.862 0.865 . . . . 0.0 108.764 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -111.38 124.42 52.21 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.205 1.402 . . . . 0.0 107.664 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.6 m -137.3 146.41 27.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 124.348 1.059 . . . . 0.0 109.467 -168.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -83.63 137.38 33.83 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 170.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.9 129.63 51.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 125.999 1.719 . . . . 0.0 108.109 -169.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -87.73 133.64 33.81 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 170.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.7 t -68.34 115.79 7.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 170.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.6 tp -95.72 -38.52 10.31 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 123.446 0.698 . . . . 0.0 111.282 -177.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.57 159.12 42.09 Favored 'General case' 0 N--CA 1.461 0.107 0 C-N-CA 124.27 1.028 . . . . 0.0 108.982 177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 70.2 t -140.83 141.64 31.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 106.236 -1.765 . . . . 0.0 106.236 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -139.36 105.05 5.12 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 169.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -79.14 -14.01 59.37 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.809 -0.615 . . . . 0.0 112.574 -173.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -78.16 -44.94 24.53 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.96 0.8 . . . . 0.0 109.102 174.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.81 -28.83 68.68 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.821 0.848 . . . . 0.0 111.227 168.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.88 48.05 57.02 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.581 -1.007 . . . . 0.0 110.581 -169.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -133.73 158.5 43.14 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 124.85 1.26 . . . . 0.0 110.235 -172.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 64.6 mt -140.81 137.29 35.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 m -109.47 150.06 28.67 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 168.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.4 mt -132.23 167.81 19.17 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.001 0.921 . . . . 0.0 108.956 -170.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.3 p -136.93 146.46 45.48 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 123.441 0.697 . . . . 0.0 109.701 169.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.1 mm -115.32 -23.3 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 126.892 2.077 . . . . 0.0 109.192 174.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -58.01 -26.63 62.65 Favored 'General case' 0 CA--C 1.52 -0.208 0 O-C-N 120.573 -1.329 . . . . 0.0 112.944 170.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.47 -27.63 64.37 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 173.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.2 p -107.69 -22.9 12.32 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.658 0.783 . . . . 0.0 112.289 -170.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -65.27 167.38 8.44 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.396 1.078 . . . . 0.0 110.916 168.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 50.89 41.95 27.43 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.97 1.708 . . . . 0.0 112.683 -178.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -147.62 161.26 36.21 Favored Pre-proline 0 C--O 1.238 0.468 0 C-N-CA 125.637 1.575 . . . . 0.0 108.925 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.12 158.01 10.01 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 123.701 2.934 . . . . 0.0 113.447 173.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -137.72 107.58 6.29 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 170.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -57.37 -30.57 64.98 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.232 0.613 . . . . 0.0 112.566 -175.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -67.37 -12.9 61.36 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.02 155.6 34.14 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.153 0.888 . . . . 0.0 111.645 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.5 m -139.54 17.02 2.54 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.961 1.304 . . . . 0.0 111.443 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.1 mtmt -140.96 161.66 52.57 Favored Pre-proline 0 CA--C 1.538 0.481 0 C-N-CA 125.833 1.653 . . . . 0.0 108.906 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -50.57 153.61 7.53 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 123.301 2.667 . . . . 0.0 112.497 170.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.5 ttt85 -155.0 143.33 20.39 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.686 1.194 . . . . 0.0 108.076 -172.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -62.94 145.96 95.91 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-O 117.649 -1.167 . . . . 0.0 110.104 -174.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.31 -37.69 60.68 Favored 'Trans proline' 0 CA--C 1.534 0.493 0 C-N-CA 123.474 2.783 . . . . 0.0 113.76 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -60.32 -11.72 7.28 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 177.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -134.77 23.82 3.64 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.86 1.264 . . . . 0.0 110.947 172.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -144.04 31.49 1.26 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.381 1.472 . . . . 0.0 110.661 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -57.94 157.26 7.98 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.842 1.257 . . . . 0.0 111.38 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.6 m -127.01 -5.11 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.399 1.079 . . . . 0.0 112.535 178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.8 m -60.74 151.2 30.11 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.729 0.811 . . . . 0.0 110.8 172.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -155.38 166.77 32.53 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.935 1.294 . . . . 0.0 109.458 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -150.22 147.49 27.75 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.833 1.653 . . . . 0.0 106.971 172.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -153.66 169.73 22.59 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 125.011 1.324 . . . . 0.0 109.656 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.0 m -75.12 17.58 0.23 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.419 1.487 . . . . 0.0 113.162 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.9 p -55.35 155.52 9.55 Favored Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 125.598 1.559 . . . . 0.0 112.419 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -71.22 -35.74 8.17 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.25 1.966 . . . . 0.0 112.41 -174.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 53.43 19.12 1.53 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.812 1.245 . . . . 0.0 113.284 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 60.11 21.54 56.49 Favored Glycine 0 CA--C 1.539 1.566 0 CA-C-O 118.743 -1.032 . . . . 0.0 114.16 -174.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -154.99 -47.3 0.08 Allowed 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.981 1.391 . . . . 0.0 111.667 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -71.97 -7.19 47.25 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.781 1.233 . . . . 0.0 113.019 171.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.0 m -40.45 121.66 1.46 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.187 2.195 . . . . 0.0 111.527 177.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.47 154.64 41.36 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.308 0.575 . . . . 0.0 110.437 -177.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -65.52 -22.63 66.74 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 170.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -49.83 115.67 1.48 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.139 1.376 . . . . 0.0 112.141 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 71.4 tttt 42.56 43.05 3.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.017 1.727 . . . . 0.0 112.572 -174.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 61.5 tp -134.97 -40.72 0.76 Allowed 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 124.358 1.063 . . . . 0.0 110.779 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -73.14 -22.86 60.44 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.506 0.669 . . . . 0.0 110.806 170.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -140.45 173.76 11.18 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.657 1.983 . . . . 0.0 107.479 173.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 20.0 m-90 -135.59 44.32 2.53 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 121.12 -0.988 . . . . 0.0 110.069 -170.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 41.9 pt -131.98 172.58 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 126.262 1.825 . . . . 0.0 109.82 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -77.87 -160.48 0.19 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.93 0.892 . . . . 0.0 110.234 175.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 66.0 mtt -59.36 -16.31 21.91 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 120.925 -1.109 . . . . 0.0 112.687 168.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.1 m -136.24 167.66 20.86 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.26 1.824 . . . . 0.0 108.496 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -73.4 58.21 0.55 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.768 1.227 . . . . 0.0 111.893 175.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -57.11 142.63 41.77 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.027 -1.046 . . . . 0.0 109.718 174.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -59.32 161.88 5.17 Favored 'General case' 0 CA--C 1.534 0.363 0 O-C-N 123.544 0.527 . . . . 0.0 110.71 173.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -139.92 -45.12 0.43 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.161 0.913 . . . . 0.0 110.517 172.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 68.4 tp -69.02 126.87 31.18 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 167.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 8.9 tp -156.2 157.34 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 125.468 1.507 . . . . 0.0 108.053 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -145.85 145.12 30.63 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.136 1.374 . . . . 0.0 107.559 172.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? . . . . . 0 C--O 1.254 1.308 0 CA-C-O 116.301 -1.809 . . . . 0.0 109.251 176.487 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 N--CA 1.47 0.55 0 CA-C-O 120.074 -0.012 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.83 -10.9 2.05 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.632 1.573 . . . . 0.0 112.411 176.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -142.97 -172.24 3.63 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.376 1.871 . . . . 0.0 108.553 174.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -58.7 -32.42 69.15 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.722 -0.611 . . . . 0.0 111.686 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.67 165.21 30.96 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 126.886 2.074 . . . . 0.0 108.56 -173.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.9 mp0 -143.67 171.32 14.35 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.534 1.134 . . . . 0.0 109.98 -174.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -49.52 136.43 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 124.792 1.237 . . . . 0.0 111.149 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.81 -11.41 64.53 Favored Glycine 0 CA--C 1.533 1.208 0 CA-C-O 118.474 -1.181 . . . . 0.0 113.658 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.6 m -65.79 161.37 21.05 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.109 1.454 . . . . 0.0 110.075 171.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.9 t -128.44 127.85 67.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 172.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -137.14 178.31 7.19 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.871 1.668 . . . . 0.0 109.335 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -128.44 141.78 51.29 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.95 -176.67 27.44 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 124.354 0.978 . . . . 0.0 110.942 -173.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.96 125.51 39.64 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -171.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 t -67.19 128.61 30.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.4 -11.96 12.43 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.647 1.579 . . . . 0.0 112.847 -172.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.29 167.63 39.34 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 119.381 0.991 . . . . 0.0 110.983 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.6 mt -130.06 148.24 51.89 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 125.131 1.373 . . . . 0.0 107.596 175.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -145.81 160.96 41.02 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 126.443 1.897 . . . . 0.0 107.043 -177.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.14 -5.97 2.68 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 175.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -124.54 -0.63 8.1 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.65 1.18 . . . . 0.0 112.969 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.93 -179.85 37.03 Favored Glycine 0 CA--C 1.526 0.731 0 CA-C-N 120.048 1.295 . . . . 0.0 114.467 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.48 126.23 48.76 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.17 1.788 . . . . 0.0 108.638 -177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -77.03 141.59 40.25 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 173.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.5 t -136.83 114.97 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.27 148.88 37.27 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 173.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 49.8 mt -131.86 -27.56 1.86 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 124.711 1.204 . . . . 0.0 111.105 -171.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -150.88 173.11 14.64 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 126.612 1.965 . . . . 0.0 106.818 171.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -60.57 -12.24 9.44 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 125.116 1.366 . . . . 0.0 112.494 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -144.36 17.74 1.7 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.37 1.868 . . . . 0.0 111.252 -174.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 m -144.48 133.74 23.04 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -159.31 156.78 29.27 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 126.115 1.766 . . . . 0.0 107.099 -169.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.03 -177.67 22.57 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 172.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.0 tp -130.24 105.07 7.67 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.574 1.549 . . . . 0.0 108.804 -169.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.6 t -65.75 118.0 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 167.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -76.09 146.85 39.04 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 177.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.1 tt -55.1 -38.17 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 O-C-N 121.716 -0.615 . . . . 0.0 112.392 -173.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -66.15 -5.57 10.5 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.473 1.509 . . . . 0.0 113.277 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -121.12 3.28 10.43 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 126.083 1.753 . . . . 0.0 110.773 -173.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.3 t -75.46 -35.69 33.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 119.122 0.874 . . . . 0.0 111.092 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 82.5 m -155.78 153.52 29.97 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -80.22 55.14 2.13 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.011 1.325 . . . . 0.0 110.751 -177.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -168.59 -179.74 41.03 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 124.983 1.278 . . . . 0.0 110.051 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -69.79 103.74 2.26 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 176.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 51.2 t -75.09 75.99 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -56.3 -33.56 65.67 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.596 0.759 . . . . 0.0 112.544 -178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -151.94 136.6 17.01 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 169.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.9 tt -66.64 -33.73 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 118.57 -0.729 . . . . 0.0 112.798 -172.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -17.51 64.47 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.443 1.019 . . . . 0.0 112.245 -179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -83.02 -4.07 57.93 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 122.866 0.467 . . . . 0.0 111.358 175.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -133.17 -17.64 2.35 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.782 1.233 . . . . 0.0 113.776 -169.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.432 ' HG ' ' H ' ' A' ' 53' ' ' SER . 5.2 tp -145.68 178.09 8.41 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.766 1.626 . . . . 0.0 108.099 169.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.432 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 31.4 m -143.9 135.9 26.46 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.141 0.977 . . . . 0.0 108.893 -178.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.4 p -69.98 154.49 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 168.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.02 32.81 77.63 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-O 119.193 -0.782 . . . . 0.0 111.65 175.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -129.1 161.82 29.15 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -100.65 135.19 42.47 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 124.68 1.192 . . . . 0.0 107.804 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.9 m -142.44 145.63 23.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 C-N-CA 124.519 1.128 . . . . 0.0 108.877 -171.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -89.14 136.08 33.21 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 106.885 -1.524 . . . . 0.0 106.885 168.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.3 m -126.46 145.02 34.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 125.869 1.668 . . . . 0.0 109.495 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -101.08 132.61 46.45 Favored 'General case' 0 C--N 1.333 -0.111 0 N-CA-C 106.528 -1.656 . . . . 0.0 106.528 168.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 t -67.56 131.06 33.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.583 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 172.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.8 tp -112.25 -38.07 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 124.602 1.161 . . . . 0.0 111.302 -174.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.78 163.0 38.51 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 124.235 1.014 . . . . 0.0 109.4 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.8 t -129.39 117.37 42.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 171.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -43.4 25.23 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.411 0.685 . . . . 0.0 110.748 -170.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 42.29 35.87 0.66 Allowed 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 127.172 2.189 . . . . 0.0 114.108 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -136.53 -26.54 1.09 Allowed 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.248 1.019 . . . . 0.0 111.863 169.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -108.58 -3.52 17.93 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 128.123 2.569 . . . . 0.0 108.844 169.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.59 49.37 56.34 Favored Glycine 0 C--N 1.34 0.8 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -130.29 165.39 22.56 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.088 0.944 . . . . 0.0 110.209 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 52.7 mt -140.09 127.63 24.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 104.647 -2.353 . . . . 0.0 104.647 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 m -88.82 142.63 27.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 174.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 85.7 mt -128.27 170.52 12.94 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.969 1.308 . . . . 0.0 108.362 -176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.8 p -144.16 151.01 38.95 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 124.137 0.975 . . . . 0.0 109.807 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.2 mm -123.87 -29.66 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 126.189 1.796 . . . . 0.0 109.801 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -56.33 -29.83 61.8 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.465 1.484 . . . . 0.0 111.906 171.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.03 -56.17 24.94 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.872 0.869 . . . . 0.0 111.284 170.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.3 p -74.75 -31.24 61.74 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.873 0.469 . . . . 0.0 111.751 -172.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -62.05 -14.34 35.01 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.356 1.062 . . . . 0.0 112.025 169.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -125.97 30.32 5.69 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.082 1.753 . . . . 0.0 110.626 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.69 156.63 8.82 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.586 0.755 . . . . 0.0 111.565 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -54.88 -22.83 31.62 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 124.042 3.161 . . . . 0.0 115.711 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -144.52 148.43 34.47 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 124.676 1.19 . . . . 0.0 108.373 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -152.77 178.65 9.41 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.366 1.866 . . . . 0.0 108.657 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 171.08 14.55 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.674 1.189 . . . . 0.0 110.091 176.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -149.53 173.6 13.43 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.254 1.422 . . . . 0.0 109.186 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.5 p -148.61 145.43 27.78 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.154 1.381 . . . . 0.0 108.323 169.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -71.4 152.55 94.1 Favored Pre-proline 0 CA--C 1.537 0.478 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 174.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -67.09 154.82 73.25 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 122.151 1.901 . . . . 0.0 110.74 -176.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 31.8 mmt180 -101.63 11.41 38.96 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.841 0.856 . . . . 0.0 112.282 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -139.23 156.36 72.03 Favored Pre-proline 0 CA--C 1.537 0.443 0 C-N-CA 126.521 1.928 . . . . 0.0 106.81 169.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -65.35 165.22 23.03 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 121.923 1.749 . . . . 0.0 110.398 169.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -136.5 158.72 43.77 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.809 1.244 . . . . 0.0 108.831 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -139.96 19.66 2.47 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.314 1.046 . . . . 0.0 111.771 -175.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.25 -9.1 58.02 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -62.56 165.77 5.97 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.975 0.91 . . . . 0.0 111.538 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.7 m -137.22 167.9 22.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 126.62 1.968 . . . . 0.0 107.829 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.8 m -55.72 -34.41 65.11 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.656 0.782 . . . . 0.0 112.582 -176.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 34.0 mp0 -70.51 -10.18 58.54 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.192 1.397 . . . . 0.0 112.306 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -142.4 30.38 1.55 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.918 1.687 . . . . 0.0 109.484 -172.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.62 18.36 0.13 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.333 1.453 . . . . 0.0 113.782 -175.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 m -61.72 177.34 0.43 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.641 1.976 . . . . 0.0 111.92 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.9 m -51.31 137.14 30.05 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 123.648 0.779 . . . . 0.0 109.22 169.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -65.01 161.97 34.63 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 122.414 2.076 . . . . 0.0 111.244 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -60.75 -33.25 72.65 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 122.932 0.493 . . . . 0.0 111.195 175.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.46 179.32 41.8 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 124.561 1.077 . . . . 0.0 110.996 171.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -157.71 175.63 13.65 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 127.601 2.36 . . . . 0.0 107.023 171.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -64.27 148.01 51.16 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 118.254 0.479 . . . . 0.0 110.885 -172.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.3 p -119.74 -13.3 9.13 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.765 1.626 . . . . 0.0 111.73 -174.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 45.5 mt -75.41 134.93 40.8 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.691 0.796 . . . . 0.0 110.273 -171.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -66.65 -37.92 85.8 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.432 0.693 . . . . 0.0 110.921 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -148.31 158.85 44.34 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 125.832 1.653 . . . . 0.0 107.511 177.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -54.88 137.84 44.39 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 123.209 0.604 . . . . 0.0 111.533 -171.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 23.0 tp -143.33 -9.69 0.75 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 126.311 1.844 . . . . 0.0 110.85 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -67.67 -17.14 64.48 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.552 1.941 . . . . 0.0 111.38 176.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -139.68 167.95 20.92 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.038 2.135 . . . . 0.0 107.853 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -139.02 178.79 6.91 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.133 1.373 . . . . 0.0 109.445 -173.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 44.1 pt -67.97 0.62 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 C-N-CA 124.893 1.277 . . . . 0.0 113.639 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -145.85 162.64 37.26 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 126.188 1.795 . . . . 0.0 107.369 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 15.4 tpt -61.42 -29.01 69.66 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.319 1.048 . . . . 0.0 112.094 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.7 m -56.98 154.97 8.73 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.804 1.242 . . . . 0.0 111.61 177.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -145.6 141.07 27.84 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 124.359 1.063 . . . . 0.0 108.86 177.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -144.78 158.25 43.86 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.834 1.654 . . . . 0.0 107.467 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -61.97 137.89 58.3 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 173.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -59.7 -25.78 65.07 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.108 0.563 . . . . 0.0 112.485 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 32.9 tp -56.38 -16.65 6.02 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 126.357 1.863 . . . . 0.0 114.216 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 26.8 pt -58.27 -26.44 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-N 119.772 1.169 . . . . 0.0 112.874 172.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -63.62 139.13 58.74 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.166 0.894 . . . . 0.0 109.986 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 26.3 pttm . . . . . 0 C--O 1.243 0.72 0 CA-C-O 117.318 -1.325 . . . . 0.0 110.334 171.928 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 117.545 -1.217 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.83 -35.53 80.21 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.29 0.95 . . . . 0.0 111.154 174.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.12 -178.57 6.12 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 126.349 1.86 . . . . 0.0 107.579 168.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.3 pttt -72.26 0.07 10.84 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 171.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -131.05 163.3 27.91 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 126.305 1.842 . . . . 0.0 107.567 167.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -139.5 159.76 41.43 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 124.259 1.024 . . . . 0.0 110.535 -174.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -52.91 130.67 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 124.891 1.276 . . . . 0.0 109.985 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.6 -16.64 60.19 Favored Glycine 0 CA--C 1.529 0.925 0 CA-C-O 118.469 -1.184 . . . . 0.0 112.89 178.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.4 m -64.36 160.24 19.39 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 118.56 1.18 . . . . 0.0 110.297 172.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.5 t -122.93 139.02 51.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 169.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -141.33 -170.65 3.12 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.913 1.685 . . . . 0.0 107.637 -174.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.0 m -133.94 151.36 51.45 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 175.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.14 -179.86 32.39 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 174.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.44 122.72 40.4 Favored 'General case' 0 CA--C 1.517 -0.326 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.7 t -65.85 125.47 23.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 C-N-CA 124.383 1.073 . . . . 0.0 108.785 -174.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -110.44 -14.35 14.12 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 125.255 1.422 . . . . 0.0 112.911 -171.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.35 171.51 44.62 Favored Glycine 0 C--N 1.333 0.392 0 CA-C-N 119.779 1.172 . . . . 0.0 111.153 174.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 97.6 mt -132.37 152.99 51.22 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 124.922 1.289 . . . . 0.0 108.621 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -145.75 160.21 42.07 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 127.167 2.187 . . . . 0.0 106.911 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.71 -5.85 4.73 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -129.85 7.09 5.14 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.01 1.324 . . . . 0.0 113.966 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.62 178.28 39.62 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-N 119.982 1.265 . . . . 0.0 114.331 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.41 128.56 48.31 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 125.532 1.533 . . . . 0.0 109.373 -178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -76.44 144.01 40.2 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 173.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.3 t -138.95 122.72 19.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.05 117.19 17.5 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 167.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.2 mt -88.88 -34.36 17.0 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 123.189 0.596 . . . . 0.0 110.15 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -158.17 169.55 24.27 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 126.652 1.981 . . . . 0.0 107.72 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -54.05 -23.44 13.66 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.294 1.038 . . . . 0.0 112.766 169.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -133.45 24.81 4.11 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.814 1.246 . . . . 0.0 111.319 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.3 m -149.25 139.86 22.58 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 120.893 -1.129 . . . . 0.0 109.22 173.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -155.23 141.94 18.92 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 120.147 -1.595 . . . . 0.0 107.188 -169.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -148.7 -178.68 23.99 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-N 119.061 0.846 . . . . 0.0 113.685 178.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.6 tp -131.64 110.58 11.02 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 124.987 1.315 . . . . 0.0 108.408 -169.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.0 t -69.91 121.29 19.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 166.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -75.01 143.68 43.45 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 119.723 1.147 . . . . 0.0 108.631 171.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.1 tt -52.5 -40.02 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -175.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.3 m -66.2 -13.82 60.9 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -107.68 9.12 29.27 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 125.964 1.705 . . . . 0.0 111.772 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.2 t -75.46 -35.69 33.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 O-C-N 120.787 -1.196 . . . . 0.0 111.34 173.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 t -160.75 160.74 31.68 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.98 0.912 . . . . 0.0 109.347 -175.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -73.49 -23.47 60.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.244 0.618 . . . . 0.0 111.808 166.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.44 165.82 51.56 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 123.24 0.448 . . . . 0.0 112.22 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -63.3 120.36 11.43 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 168.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.53 100.57 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 123.618 0.767 . . . . 0.0 110.122 174.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -60.4 -50.46 73.51 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 172.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -163.48 144.62 9.23 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 127.61 2.364 . . . . 0.0 105.117 169.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.0 tt -50.83 -37.97 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 O-C-N 120.923 -1.11 . . . . 0.0 113.728 -176.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.84 -12.59 59.66 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.742 1.155 . . . . 0.0 114.033 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -87.82 -6.05 58.31 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.661 0.664 . . . . 0.0 112.081 174.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -134.03 -5.98 2.73 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.23 1.012 . . . . 0.0 113.123 -174.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -148.78 169.46 20.41 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.3 1.84 . . . . 0.0 107.933 173.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.9 m -141.14 130.99 24.33 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.267 1.027 . . . . 0.0 108.578 -177.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.4 p -67.94 152.91 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 O-C-N 121.305 -0.872 . . . . 0.0 109.997 166.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.09 32.24 72.77 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 119.033 -0.87 . . . . 0.0 111.798 176.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -129.59 161.71 29.92 Favored 'General case' 0 C--O 1.238 0.452 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -106.76 135.26 48.6 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 124.661 1.184 . . . . 0.0 109.043 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.7 m -144.89 141.47 23.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 124.427 1.091 . . . . 0.0 109.876 -168.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -76.11 136.43 39.84 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 166.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.67 135.17 51.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 C-N-CA 125.21 1.404 . . . . 0.0 109.406 -173.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -84.98 136.41 33.61 Favored 'General case' 0 CA--C 1.523 -0.076 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 169.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 t -71.68 115.31 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.4 tp -100.13 -30.36 11.98 Favored 'General case' 0 C--O 1.224 -0.253 0 C-N-CA 124.865 1.266 . . . . 0.0 111.527 -173.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.26 163.53 33.37 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.687 1.595 . . . . 0.0 108.484 173.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 47.9 t -131.91 143.4 40.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 106.908 -1.515 . . . . 0.0 106.908 170.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -138.45 71.53 1.39 Allowed 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.431 1.492 . . . . 0.0 108.874 -169.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -58.7 -19.62 41.5 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.666 1.186 . . . . 0.0 113.87 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -64.9 -24.48 67.54 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.602 0.761 . . . . 0.0 111.251 175.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -123.23 -4.35 8.42 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 125.114 1.366 . . . . 0.0 111.484 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.18 41.93 99.72 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -173.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -121.05 164.72 16.36 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 124.856 1.262 . . . . 0.0 109.775 -176.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.7 mt -139.98 143.6 29.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 m -101.57 149.45 24.09 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 167.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 91.6 mt -134.55 166.92 21.76 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.998 0.919 . . . . 0.0 109.782 -169.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.2 t -140.03 150.48 44.45 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 123.781 0.832 . . . . 0.0 109.344 173.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.4 mm -117.92 -32.49 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.425 0 C-N-CA 126.836 2.054 . . . . 0.0 109.352 173.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -58.39 -27.32 64.14 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 120.743 1.611 . . . . 0.0 111.738 171.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.1 -22.92 63.96 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 172.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.3 p -109.76 -31.42 7.45 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.719 1.145 . . . . 0.0 111.799 -173.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -142.06 110.85 6.2 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 126.467 1.907 . . . . 0.0 107.38 169.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -54.15 -37.07 64.02 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.224 0.61 . . . . 0.0 111.867 -172.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -134.16 158.28 75.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 C-N-CA 126.716 2.006 . . . . 0.0 107.128 167.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -69.16 21.65 0.15 Allowed 'Trans proline' 0 CA--C 1.548 1.202 0 C-N-CA 123.945 3.097 . . . . 0.0 114.183 -175.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -139.01 -5.41 1.48 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.74 2.016 . . . . 0.0 113.404 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -154.59 142.64 20.23 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 120.12 1.327 . . . . 0.0 110.37 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -61.77 -48.78 79.15 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 122.668 0.387 . . . . 0.0 110.903 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -154.22 152.57 30.49 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 175.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.2 m -127.19 -18.76 4.47 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.499 1.52 . . . . 0.0 111.677 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -63.16 144.74 97.29 Favored Pre-proline 0 CA--C 1.538 0.49 0 CA-C-N 118.609 0.64 . . . . 0.0 110.194 175.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -70.92 176.79 7.16 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.586 2.191 . . . . 0.0 110.124 168.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -142.8 145.56 33.36 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 121.125 -0.984 . . . . 0.0 108.713 169.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -60.53 157.61 35.47 Favored Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 122.94 0.496 . . . . 0.0 110.475 171.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -62.01 160.96 27.69 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 122.56 2.173 . . . . 0.0 110.853 169.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -69.92 90.53 0.62 Allowed 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 168.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.75 25.28 2.83 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.07 1.348 . . . . 0.0 110.686 -171.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -139.96 151.43 45.52 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 124.634 1.174 . . . . 0.0 108.703 173.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -72.16 -14.06 61.72 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 41.2 t -69.59 -45.62 77.58 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.439 0 C-N-CA 123.599 0.76 . . . . 0.0 110.593 -170.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.9 p -71.5 155.78 40.19 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 118.29 0.495 . . . . 0.0 111.076 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -144.64 165.3 28.41 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.001 1.321 . . . . 0.0 109.422 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -144.12 172.42 12.92 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.124 1.37 . . . . 0.0 109.407 -171.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.45 21.53 7.18 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.127 1.371 . . . . 0.0 111.649 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.8 m 57.09 23.28 8.3 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.367 1.467 . . . . 0.0 113.119 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.3 p -63.23 156.44 68.95 Favored Pre-proline 0 CA--C 1.543 0.688 0 C-N-CA 125.281 1.432 . . . . 0.0 111.875 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.43 -12.37 20.69 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 123.093 2.528 . . . . 0.0 113.612 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -50.22 129.21 20.93 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.113 0.965 . . . . 0.0 110.728 178.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 79.5 6.05 89.08 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 118.359 -1.245 . . . . 0.0 113.782 177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.7 t80 63.6 -56.64 0.2 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 128.731 2.813 . . . . 0.0 114.247 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -150.79 157.2 42.64 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.541 1.536 . . . . 0.0 107.569 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 6.5 m -48.02 115.05 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 126.371 1.868 . . . . 0.0 110.083 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -59.08 141.79 53.14 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.294 0.569 . . . . 0.0 111.747 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -142.63 130.26 21.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.3 t70 58.63 -15.21 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 128.429 2.691 . . . . 0.0 116.657 175.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -139.25 170.01 16.73 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.539 1.935 . . . . 0.0 108.681 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 48.8 tp -52.82 154.23 2.89 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.6 1.16 . . . . 0.0 110.613 166.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -51.18 140.75 15.82 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 122.585 0.354 . . . . 0.0 111.756 169.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -163.41 161.15 24.22 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.824 1.25 . . . . 0.0 107.757 -174.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 49.0 p-90 -61.2 -24.99 66.73 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.7 pt -60.18 158.02 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 124.317 1.047 . . . . 0.0 112.008 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.7 153.6 27.76 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.887 0.851 . . . . 0.0 111.044 170.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 22.6 mmt -128.79 -1.33 5.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.061 2.144 . . . . 0.0 111.297 176.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.4 m 65.49 -178.07 0.18 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.444 1.898 . . . . 0.0 112.312 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -152.39 152.55 32.18 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.009 -1.057 . . . . 0.0 109.127 -175.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -144.93 158.1 43.92 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.893 1.677 . . . . 0.0 107.179 172.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -54.82 -40.38 69.51 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.074 0.55 . . . . 0.0 111.714 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -152.16 162.77 40.62 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 125.308 1.443 . . . . 0.0 108.005 171.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.4 mt -140.6 150.1 43.18 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.69 1.596 . . . . 0.0 108.568 177.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 20.9 tt -54.09 136.86 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 123.596 0.758 . . . . 0.0 111.161 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -139.89 134.38 31.56 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 124.77 1.228 . . . . 0.0 108.605 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 64.8 tttm . . . . . 0 C--O 1.243 0.713 0 O-C-N 124.673 1.233 . . . . 0.0 108.509 167.082 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.472 0.643 0 CA-C-O 117.283 -1.341 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.81 169.11 23.59 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.409 1.084 . . . . 0.0 108.787 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.44 158.17 43.87 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.464 1.506 . . . . 0.0 108.907 174.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -69.8 -18.09 63.44 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -136.23 163.45 30.37 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.827 1.651 . . . . 0.0 106.864 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -140.71 147.22 38.88 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.96 0.904 . . . . 0.0 108.951 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.4 t -49.2 128.41 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 125.175 1.39 . . . . 0.0 110.408 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.95 -8.66 79.21 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 117.303 -1.831 . . . . 0.0 113.523 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 m -64.36 164.8 10.68 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 119.466 1.633 . . . . 0.0 111.074 170.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.1 t -140.04 130.6 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 106.352 -1.722 . . . . 0.0 106.352 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -138.67 179.17 6.63 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.481 1.113 . . . . 0.0 108.966 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 32.1 m -109.31 149.93 28.74 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 169.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.32 178.43 29.53 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 124.496 1.046 . . . . 0.0 110.901 -179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.78 120.69 31.27 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -173.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 t -62.21 120.09 7.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 123.969 0.908 . . . . 0.0 109.124 -176.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.06 -17.23 19.24 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.576 1.55 . . . . 0.0 112.186 -175.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.18 169.98 41.96 Favored Glycine 0 C--N 1.335 0.496 0 CA-C-N 119.859 1.209 . . . . 0.0 110.786 173.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.2 mt -126.38 149.05 49.47 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.374 1.069 . . . . 0.0 108.452 173.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -143.12 159.53 42.11 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.735 2.014 . . . . 0.0 106.391 -176.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.67 -7.25 6.95 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -122.44 -0.41 9.27 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.788 1.635 . . . . 0.0 113.313 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.18 -179.36 39.1 Favored Glycine 0 C--N 1.339 0.701 0 CA-C-N 119.614 1.097 . . . . 0.0 113.906 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.94 122.94 39.27 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 125.488 1.515 . . . . 0.0 108.636 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -70.98 139.19 50.49 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 171.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.8 t -139.24 114.4 8.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 177.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.86 146.28 55.11 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.088 0.555 . . . . 0.0 110.952 166.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.6 mt -128.27 -33.42 2.15 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.031 0.933 . . . . 0.0 110.584 -169.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.4 163.98 38.42 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 126.407 1.883 . . . . 0.0 106.959 -175.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -56.33 -18.85 12.06 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.163 1.385 . . . . 0.0 113.409 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -131.3 13.71 5.08 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.011 0.924 . . . . 0.0 111.694 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.3 m -143.07 141.99 31.42 Favored 'General case' 0 CA--C 1.53 0.192 0 O-C-N 120.304 -1.498 . . . . 0.0 111.012 -172.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -143.48 173.24 11.81 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.878 1.271 . . . . 0.0 110.304 172.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.33 -171.7 13.82 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 172.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.5 tp -137.34 102.69 4.87 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 -169.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.6 t -60.56 115.15 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 165.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -75.1 136.68 41.12 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 173.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.0 tt -52.96 -35.41 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 123.93 0.892 . . . . 0.0 113.091 -174.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 m -61.0 -17.39 51.8 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.254 1.021 . . . . 0.0 112.959 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -123.83 12.96 9.18 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.521 1.128 . . . . 0.0 111.427 -174.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.0 t -65.42 -34.45 70.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 O-C-N 121.388 -0.82 . . . . 0.0 111.885 170.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.7 m -151.77 151.76 31.8 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -75.5 41.67 0.2 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.525 1.53 . . . . 0.0 112.528 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -174.37 175.8 46.72 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.884 1.707 . . . . 0.0 109.604 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -59.41 113.24 2.09 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.226 0.611 . . . . 0.0 110.174 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.96 126.29 21.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 169.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -63.36 -54.62 34.0 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -161.32 145.46 13.2 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 129.079 2.951 . . . . 0.0 103.437 168.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.5 tt -57.55 -36.3 53.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 117.007 -1.473 . . . . 0.0 113.349 -173.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -15.25 59.14 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 174.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -90.63 -2.98 57.85 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 118.544 0.611 . . . . 0.0 111.223 175.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -125.08 -20.15 4.98 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.537 1.135 . . . . 0.0 113.369 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt -145.68 169.08 19.17 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 126.578 1.951 . . . . 0.0 109.679 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 m -145.71 126.94 14.79 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -175.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -58.2 147.12 7.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 O-C-N 121.02 -1.05 . . . . 0.0 111.091 165.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.65 30.28 68.75 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.063 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -125.68 162.73 24.36 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.113 0.965 . . . . 0.0 108.63 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -108.46 131.71 54.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.952 1.301 . . . . 0.0 109.343 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.2 m -144.89 141.4 23.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 C-N-CA 124.381 1.072 . . . . 0.0 109.106 -168.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -70.3 138.65 51.7 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 163.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -134.78 137.03 51.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 125.877 1.671 . . . . 0.0 108.698 -177.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -92.21 134.03 35.26 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 169.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.4 t -65.55 113.47 2.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 C-N-CA 124.381 1.073 . . . . 0.0 109.9 167.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 56.1 tp -91.19 -36.06 14.17 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.8 0.84 . . . . 0.0 111.743 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.63 164.77 36.89 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.278 1.431 . . . . 0.0 108.783 172.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.2 p -149.28 143.93 18.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 124.059 0.944 . . . . 0.0 108.81 173.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -142.99 102.99 4.11 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 169.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -74.7 -19.33 60.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.082 0.953 . . . . 0.0 112.2 -174.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -75.29 -44.78 43.77 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.753 0.787 . . . . 0.0 109.482 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -68.85 -19.84 64.26 Favored 'General case' 0 C--O 1.243 0.712 0 O-C-N 121.124 -0.985 . . . . 0.0 112.312 169.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 61.13 50.98 61.38 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -171.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -133.73 150.1 51.49 Favored 'General case' 0 CA--C 1.52 -0.203 0 C-N-CA 123.645 0.778 . . . . 0.0 109.792 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.5 mt -142.24 114.27 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 N-CA-C 104.342 -2.466 . . . . 0.0 104.342 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -76.98 144.7 38.55 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 166.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.8 mt -130.23 167.17 18.87 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 123.828 0.851 . . . . 0.0 110.113 -176.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 61.4 m -134.41 152.66 51.94 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 124.625 1.17 . . . . 0.0 109.365 173.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.8 mm -122.54 -20.05 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 125.231 1.413 . . . . 0.0 110.642 173.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -53.85 -28.85 38.44 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 119.912 -1.743 . . . . 0.0 112.38 167.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.76 -18.96 60.4 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 117.752 -1.118 . . . . 0.0 112.268 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.1 p -123.81 -15.16 7.03 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.11 0.964 . . . . 0.0 112.19 -168.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -141.77 153.85 44.84 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.168 0.987 . . . . 0.0 109.516 168.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -98.31 -16.52 19.33 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.717 0.807 . . . . 0.0 112.115 172.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.92 162.48 20.41 Favored Pre-proline 0 CA--C 1.538 0.507 0 C-N-CA 126.809 2.044 . . . . 0.0 108.135 -173.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -62.95 171.58 5.89 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 122.941 2.427 . . . . 0.0 111.206 169.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -54.31 152.57 6.2 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 122.764 1.269 . . . . 0.0 113.565 174.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -62.38 160.51 13.25 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.564 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -142.04 168.67 19.19 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.267 1.427 . . . . 0.0 109.504 171.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -58.88 144.96 42.84 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 123.71 0.631 . . . . 0.0 110.749 173.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.4 m -76.03 -32.11 59.19 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.422 0.689 . . . . 0.0 111.914 -176.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -148.46 65.85 8.81 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 124.84 1.256 . . . . 0.0 110.623 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -64.02 156.8 56.58 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 122.359 2.04 . . . . 0.0 110.666 178.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -158.48 -29.43 0.07 Allowed 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.924 0.89 . . . . 0.0 112.982 174.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -138.14 160.56 63.72 Favored Pre-proline 0 CA--C 1.531 0.247 0 C-N-CA 125.993 1.717 . . . . 0.0 108.014 174.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -54.38 161.21 5.76 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.3 2.666 . . . . 0.0 111.731 168.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -112.48 7.36 18.99 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.511 0.724 . . . . 0.0 112.406 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.53 162.7 4.73 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.608 0.763 . . . . 0.0 111.717 167.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -55.87 122.7 12.12 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.829 0.852 . . . . 0.0 110.916 173.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -137.76 -131.06 0.13 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.879 2.072 . . . . 0.0 105.573 -177.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 30.7 m -54.11 -23.41 9.52 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 120.397 1.453 . . . . 0.0 113.398 168.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.3 p -48.83 -30.95 6.34 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 166.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -60.12 -18.04 44.5 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.477 1.111 . . . . 0.0 113.388 172.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -117.58 3.56 12.4 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.92 1.288 . . . . 0.0 110.689 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.3 1.45 9.49 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.142 -1.599 . . . . 0.0 114.197 174.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.9 m -72.33 20.01 0.07 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.996 2.519 . . . . 0.0 114.272 -175.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.0 p -57.19 159.72 7.7 Favored Pre-proline 0 CA--C 1.547 0.846 0 O-C-N 120.525 -1.359 . . . . 0.0 112.34 170.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -47.4 127.0 12.77 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 124.033 3.156 . . . . 0.0 112.3 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -159.97 170.35 21.54 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 124.808 1.243 . . . . 0.0 110.171 -169.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -166.22 159.91 33.31 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 109.214 -1.554 . . . . 0.0 109.214 170.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -147.19 162.87 38.01 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.274 1.43 . . . . 0.0 108.52 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -146.18 133.83 21.03 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.88 1.272 . . . . 0.0 108.223 172.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.0 p -138.55 21.09 2.72 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.52 1.528 . . . . 0.0 111.4 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.0 tp -69.0 -35.45 76.71 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -170.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -71.57 157.73 37.48 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 122.623 1.201 . . . . 0.0 111.227 -175.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -58.14 129.42 41.89 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.351 -0.84 . . . . 0.0 108.856 170.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -57.42 -26.03 60.52 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 117.137 -1.411 . . . . 0.0 113.04 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 25.6 tp -60.44 -9.3 3.45 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.157 1.383 . . . . 0.0 114.65 170.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -130.92 -32.79 1.61 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.309 1.043 . . . . 0.0 111.293 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -70.91 -30.63 67.02 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.257 -0.902 . . . . 0.0 111.868 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 82.3 m95 39.09 58.76 1.78 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.266 1.827 . . . . 0.0 113.065 175.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 46.1 pt -74.94 27.79 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.986 0 C-N-CA 124.463 1.105 . . . . 0.0 113.342 172.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -63.74 139.4 58.76 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 123.509 0.724 . . . . 0.0 110.326 177.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 66.9 mtt -48.79 110.55 0.36 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.893 1.277 . . . . 0.0 112.101 -169.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.9 m 56.53 22.1 6.29 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.873 1.669 . . . . 0.0 113.598 173.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -67.6 -17.12 64.51 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -144.77 160.2 41.63 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.448 1.099 . . . . 0.0 108.998 168.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -64.22 -32.95 74.74 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 118.86 -0.59 . . . . 0.0 112.518 171.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -84.12 34.07 0.5 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 123.289 1.519 . . . . 0.0 111.08 -177.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.67 142.95 51.53 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 119.209 -2.182 . . . . 0.0 109.198 166.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 26.6 pt -57.36 140.85 15.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 124.907 1.283 . . . . 0.0 111.556 176.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.4 pttm -165.87 166.15 17.76 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 126.97 2.108 . . . . 0.0 108.17 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt . . . . . 0 C--O 1.249 1.069 0 CA-C-O 116.083 -1.913 . . . . 0.0 110.229 174.845 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.2 mmm . . . . . 0 N--CA 1.474 0.766 0 CA-C-O 117.891 -1.052 . . . . 0.0 108.682 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.88 167.49 27.36 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 125.565 1.546 . . . . 0.0 108.362 172.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.46 158.21 18.32 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 122.047 0.927 . . . . 0.0 110.668 172.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -78.24 6.17 8.76 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.252 1.205 . . . . 0.0 114.252 173.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -129.28 162.4 27.99 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.308 1.443 . . . . 0.0 108.225 168.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -141.78 161.95 36.68 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.879 1.272 . . . . 0.0 110.738 -173.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 42.7 t -52.6 132.74 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 125.001 1.32 . . . . 0.0 110.758 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.0 -18.31 56.35 Favored Glycine 0 CA--C 1.527 0.817 0 CA-C-O 117.92 -1.489 . . . . 0.0 112.882 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.3 m -64.24 159.03 21.65 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.364 1.582 . . . . 0.0 110.202 169.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.9 t -115.15 140.47 36.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 168.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -143.56 176.98 8.79 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.668 1.587 . . . . 0.0 107.932 -177.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -136.74 146.23 45.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -175.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.04 -172.75 28.78 Favored Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 112.043 -0.423 . . . . 0.0 112.043 -175.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.34 125.52 38.9 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -174.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.5 t -66.15 127.42 27.39 Favored 'Isoleucine or valine' 0 C--O 1.241 0.639 0 C-N-CA 123.99 0.916 . . . . 0.0 108.748 -174.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -110.09 -12.48 14.51 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 126.11 1.764 . . . . 0.0 112.314 -173.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.79 169.25 41.9 Favored Glycine 0 C--N 1.333 0.387 0 CA-C-N 119.876 1.217 . . . . 0.0 110.848 171.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.7 mt -132.86 148.71 52.3 Favored 'General case' 0 CA--C 1.522 -0.109 0 C-N-CA 124.995 1.318 . . . . 0.0 107.928 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -146.54 163.58 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 126.594 1.958 . . . . 0.0 107.7 177.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.36 -4.99 2.1 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -127.7 0.75 6.12 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 177.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.5 179.53 41.39 Favored Glycine 0 C--N 1.34 0.775 0 CA-C-N 120.241 1.382 . . . . 0.0 114.107 174.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -126.13 121.09 31.85 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 126.412 1.885 . . . . 0.0 108.505 -175.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -74.56 143.94 44.23 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 173.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 t -139.45 115.02 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.66 141.06 48.28 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 165.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 32.0 mt -123.7 -31.75 3.41 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.195 0.998 . . . . 0.0 110.205 -171.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -159.96 165.91 31.1 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 126.653 1.981 . . . . 0.0 106.555 177.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -55.49 -18.09 6.5 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 173.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -132.12 24.85 4.57 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.434 1.094 . . . . 0.0 111.054 175.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 m -145.84 135.53 23.32 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.387 -1.445 . . . . 0.0 110.175 171.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -156.08 151.88 27.33 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 126.13 1.772 . . . . 0.0 106.821 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -153.32 -172.11 21.22 Favored Glycine 0 CA--C 1.523 0.568 0 CA-C-N 118.319 0.509 . . . . 0.0 112.431 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 44.8 tp -135.0 109.98 8.78 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.39 1.476 . . . . 0.0 107.413 -168.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.5 t -70.93 119.64 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 164.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -74.64 147.57 41.45 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.668 1.122 . . . . 0.0 109.023 173.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.1 tt -56.27 -36.48 46.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 O-C-N 121.096 -1.003 . . . . 0.0 112.13 -174.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 m -66.79 -4.59 9.49 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.186 1.395 . . . . 0.0 113.224 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -119.86 1.88 11.01 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 126.114 1.765 . . . . 0.0 110.46 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t -77.29 -33.14 19.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 119.575 1.079 . . . . 0.0 110.83 176.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 t -151.53 156.46 40.58 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.292 1.037 . . . . 0.0 108.223 172.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -77.94 -16.12 58.44 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.9 0.88 . . . . 0.0 112.842 166.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.84 177.88 49.28 Favored Glycine 0 CA--C 1.533 1.193 0 CA-C-N 119.156 0.889 . . . . 0.0 112.155 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -65.59 101.98 0.67 Allowed 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 168.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.5 p -65.64 100.58 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 125.331 1.452 . . . . 0.0 109.002 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -66.47 -49.01 68.06 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.676 -0.64 . . . . 0.0 109.916 -170.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -158.12 144.76 17.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 104.439 -2.43 . . . . 0.0 104.439 168.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.1 tt -54.91 -36.42 37.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -172.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -18.43 64.45 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.361 0.982 . . . . 0.0 113.585 178.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -80.53 -11.46 59.66 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 118.615 0.643 . . . . 0.0 111.514 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -133.1 -11.92 2.88 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 120.78 -1.2 . . . . 0.0 113.459 -169.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.8 tp -146.45 175.86 10.24 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.522 1.529 . . . . 0.0 109.131 168.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.9 m -145.91 134.5 22.13 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.534 1.134 . . . . 0.0 108.518 -174.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.8 p -66.74 153.42 8.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 O-C-N 121.034 -1.041 . . . . 0.0 110.209 165.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 67.82 31.11 75.07 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-O 118.433 -1.204 . . . . 0.0 112.101 175.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -127.68 160.34 31.96 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 123.994 0.918 . . . . 0.0 108.551 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -92.32 138.74 31.26 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.725 1.21 . . . . 0.0 109.26 173.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.3 m -141.71 150.05 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 124.664 1.186 . . . . 0.0 108.752 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -108.18 127.9 54.23 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.0 m -124.14 149.12 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 126.219 1.807 . . . . 0.0 109.904 -168.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -98.17 132.74 43.43 Favored 'General case' 0 C--O 1.227 -0.119 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 164.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -64.47 138.44 23.1 Favored 'Isoleucine or valine' 0 C--O 1.242 0.665 0 N-CA-C 108.323 -0.992 . . . . 0.0 108.323 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 65.7 tp -124.49 -31.58 3.24 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 125.026 1.331 . . . . 0.0 111.44 -172.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.92 158.9 41.4 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 168.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 92.5 t -135.02 134.02 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 105.941 -1.874 . . . . 0.0 105.941 168.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -146.99 91.75 2.04 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -70.22 -22.94 62.86 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.914 0.886 . . . . 0.0 112.208 -177.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -71.78 -42.6 66.92 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.305 0.957 . . . . 0.0 109.966 174.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -67.35 -27.89 67.5 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.128 -0.982 . . . . 0.0 111.237 168.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.48 36.91 32.55 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 125.43 1.49 . . . . 0.0 111.477 -176.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -139.87 164.97 28.55 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 118.828 1.314 . . . . 0.0 111.297 -173.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.0 mt -137.74 124.44 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 104.741 -2.318 . . . . 0.0 104.741 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.5 m -84.65 147.4 26.97 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 118.587 0.63 . . . . 0.0 109.527 167.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.9 mt -133.6 167.23 20.86 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 125.397 1.479 . . . . 0.0 108.249 -173.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.4 p -144.15 152.61 41.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.413 0.685 . . . . 0.0 110.402 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.3 mm -128.55 -31.53 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 126.083 1.753 . . . . 0.0 109.757 -174.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -56.58 -25.79 53.49 Favored 'General case' 0 C--O 1.223 -0.336 0 O-C-N 120.097 -1.627 . . . . 0.0 112.248 167.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.4 -22.18 63.72 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 173.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 36.7 p -117.7 -27.17 6.33 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 119.569 1.077 . . . . 0.0 111.872 -169.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -61.77 159.35 13.81 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.87 0.868 . . . . 0.0 110.618 170.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.08 157.69 43.65 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.996 1.718 . . . . 0.0 108.268 170.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.1 146.96 95.36 Favored Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 123.041 0.536 . . . . 0.0 111.055 172.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -69.8 164.86 33.0 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.673 2.249 . . . . 0.0 110.874 172.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -61.71 149.16 40.46 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-O 121.274 0.559 . . . . 0.0 110.195 167.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.74 57.99 1.06 Allowed 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.707 1.203 . . . . 0.0 111.374 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -52.4 -27.67 16.72 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 117.741 -1.123 . . . . 0.0 113.053 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -70.08 -20.41 63.22 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.612 0.765 . . . . 0.0 112.709 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -142.32 -24.76 0.66 Allowed 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 -167.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.27 -55.0 22.06 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-O 116.76 -1.591 . . . . 0.0 113.263 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.46 152.56 81.14 Favored 'Trans proline' 0 C--N 1.351 0.71 0 CA-C-N 121.701 1.643 . . . . 0.0 110.457 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -91.47 -23.82 19.87 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 121.978 -0.451 . . . . 0.0 111.921 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -149.44 140.22 13.98 Favored Pre-proline 0 CA--C 1.534 0.332 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.05 159.87 8.98 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.339 2.026 . . . . 0.0 112.228 170.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -146.31 149.63 34.19 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.76 1.224 . . . . 0.0 107.724 171.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.47 154.52 20.5 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.969 0.508 . . . . 0.0 110.979 175.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.07 120.61 11.18 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 167.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -147.09 169.79 18.52 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.833 1.653 . . . . 0.0 108.295 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 35.7 m -57.8 168.59 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.219 1.008 . . . . 0.0 112.113 165.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.5 m -49.43 140.69 10.06 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.025 1.33 . . . . 0.0 111.317 177.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -152.18 155.75 38.42 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 125.031 1.332 . . . . 0.0 107.895 -171.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -144.68 1.0 1.01 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.843 1.657 . . . . 0.0 112.94 -173.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -136.94 158.48 44.37 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.03 1.332 . . . . 0.0 109.512 170.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.7 m 47.32 36.54 4.88 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-O 121.838 0.828 . . . . 0.0 111.998 -170.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.64 162.19 74.45 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 127.409 2.284 . . . . 0.0 111.752 -176.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.49 -23.07 32.42 Favored 'Trans proline' 0 CA--C 1.54 0.808 0 C-N-CA 122.594 2.196 . . . . 0.0 112.312 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -73.27 4.45 4.56 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.089 0.955 . . . . 0.0 113.349 169.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 109.24 169.94 20.56 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 125.29 1.424 . . . . 0.0 110.699 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -57.89 152.78 15.34 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 117.373 0.586 . . . . 0.0 111.233 169.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -144.63 131.65 20.4 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.249 1.42 . . . . 0.0 107.578 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.3 p -71.53 175.09 5.84 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.558 1.543 . . . . 0.0 112.313 177.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 64.7 tp -139.59 141.93 37.13 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 124.798 1.239 . . . . 0.0 107.976 172.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -140.49 162.59 34.97 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 125.351 1.461 . . . . 0.0 107.989 175.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -56.86 -28.61 61.95 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.608 1.163 . . . . 0.0 113.314 -173.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -126.03 20.34 7.61 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.932 0.893 . . . . 0.0 111.608 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.27 105.28 1.08 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 165.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.85 171.29 20.31 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.608 1.563 . . . . 0.0 106.965 179.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -59.97 -15.96 26.37 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.697 1.599 . . . . 0.0 113.892 -169.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -64.54 -21.48 66.7 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 171.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 7.1 pt -67.37 166.91 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 119.884 1.22 . . . . 0.0 111.389 176.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.35 142.68 39.67 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 168.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 76.4 mtm -149.9 144.92 26.21 Favored 'General case' 0 C--O 1.226 -0.179 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 177.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 40.9 m -63.5 -19.01 64.4 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 119.996 -1.69 . . . . 0.0 114.034 174.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -68.12 -33.71 75.01 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 119.395 0.998 . . . . 0.0 113.217 166.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -80.56 -30.61 37.02 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 125.267 1.427 . . . . 0.0 111.825 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -50.39 142.43 10.37 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.679 1.127 . . . . 0.0 110.71 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -61.09 -43.07 99.45 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 123.478 0.486 . . . . 0.0 110.515 169.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.25 69.98 4.54 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 165.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 19.9 tt -57.72 137.31 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 C-N-CA 124.499 1.119 . . . . 0.0 110.343 -175.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 27.5 tptt -148.94 141.39 24.26 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 107.948 -1.131 . . . . 0.0 107.948 173.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt . . . . . 0 C--O 1.259 1.584 0 C-N-CA 127.221 2.209 . . . . 0.0 107.268 170.757 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 C--O 1.215 -0.711 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 47.0 37.95 5.68 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.681 1.592 . . . . 0.0 113.667 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.9 156.37 33.63 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.138 0.575 . . . . 0.0 111.355 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -69.53 -15.03 63.16 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.439 0.696 . . . . 0.0 112.747 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -138.16 150.49 46.84 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.066 1.347 . . . . 0.0 107.806 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -144.64 149.51 35.82 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 124.989 1.316 . . . . 0.0 107.631 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 15.8 m -53.72 135.66 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-O 121.845 0.831 . . . . 0.0 110.909 -177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.16 -10.53 68.37 Favored Glycine 0 CA--C 1.533 1.204 0 CA-C-O 118.174 -1.348 . . . . 0.0 113.773 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 m -65.55 165.53 12.08 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 119.198 1.499 . . . . 0.0 110.274 169.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.6 t -141.25 130.94 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -140.75 -174.81 4.08 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.127 1.371 . . . . 0.0 109.595 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.0 m -123.62 147.28 47.5 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.37 -178.58 31.56 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 -172.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.07 122.29 31.78 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 -171.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.03 122.25 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -105.29 -15.94 14.9 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 125.11 1.364 . . . . 0.0 112.558 -173.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.42 164.95 35.59 Favored Glycine 0 CA--C 1.517 0.208 0 CA-C-N 119.645 1.111 . . . . 0.0 111.081 173.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.8 mt -118.49 143.22 46.87 Favored 'General case' 0 C--O 1.224 -0.245 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 173.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -135.25 158.26 44.82 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 126.196 1.799 . . . . 0.0 107.984 -170.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.31 -1.56 0.78 Allowed 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.436 1.273 . . . . 0.0 114.436 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -139.36 9.03 2.47 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 126.808 2.043 . . . . 0.0 112.364 -173.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.52 -167.49 33.55 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 120.179 1.354 . . . . 0.0 113.55 -175.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -134.91 134.31 40.53 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 124.647 1.179 . . . . 0.0 109.672 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -79.24 142.29 36.35 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 174.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.95 115.08 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 176.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.09 140.89 57.61 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 169.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.6 mt -118.9 -32.69 4.42 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.819 1.248 . . . . 0.0 110.501 -169.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -154.81 170.09 22.45 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 125.941 1.696 . . . . 0.0 107.581 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -61.25 -13.19 16.77 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -175.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -135.94 20.02 3.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.905 1.282 . . . . 0.0 111.604 176.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.0 m -143.53 138.68 29.32 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.196 -1.565 . . . . 0.0 110.453 -176.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -153.55 144.45 22.76 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 125.361 1.464 . . . . 0.0 107.128 -173.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -134.64 -178.5 15.7 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 124.025 0.821 . . . . 0.0 111.15 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.1 tp -133.25 114.34 13.68 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 124.619 1.167 . . . . 0.0 108.312 -169.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.5 p -80.36 118.11 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.526 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 166.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -72.72 148.03 45.06 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-O 121.329 0.585 . . . . 0.0 109.828 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.8 tt -52.19 -34.38 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.2 1.4 . . . . 0.0 113.298 -172.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 m -62.53 -15.46 50.68 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 124.624 1.169 . . . . 0.0 113.35 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -120.52 11.87 11.44 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.286 1.434 . . . . 0.0 111.053 -175.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.6 t -78.78 -29.16 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 O-C-N 120.538 -1.351 . . . . 0.0 111.557 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 t -164.39 161.49 21.62 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.945 1.298 . . . . 0.0 109.236 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -75.08 -22.5 58.28 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.37 0.668 . . . . 0.0 111.357 167.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -74.18 173.69 50.51 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 123.545 0.593 . . . . 0.0 111.938 177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -64.71 148.21 51.54 Favored 'General case' 0 C--O 1.223 -0.296 0 O-C-N 121.738 -0.86 . . . . 0.0 110.22 168.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.2 p -152.77 69.86 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -59.26 -23.79 62.67 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -174.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -143.69 147.71 34.66 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 168.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.4 tp -51.81 -35.31 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-O 117.957 -1.02 . . . . 0.0 112.712 -174.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -17.56 64.62 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -176.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -71.03 -8.41 53.14 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.109 0.564 . . . . 0.0 112.037 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -142.5 -173.11 3.77 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.566 1.546 . . . . 0.0 109.576 170.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.546 ' HG ' ' H ' ' A' ' 53' ' ' SER . 5.3 tp 54.64 -169.62 0.07 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.9 1.68 . . . . 0.0 111.965 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.546 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 8.4 m -145.2 165.77 27.38 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 127.707 2.403 . . . . 0.0 106.435 173.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -121.62 152.23 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.778 1.231 . . . . 0.0 109.452 172.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 61.08 39.0 96.5 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -174.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -137.58 163.08 32.08 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.271 1.028 . . . . 0.0 108.761 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -93.03 139.48 30.49 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 124.487 1.115 . . . . 0.0 109.299 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.0 m -143.23 146.79 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 125.893 1.677 . . . . 0.0 109.03 -178.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -88.48 137.63 32.15 Favored 'General case' 0 C--N 1.335 -0.061 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 167.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -133.49 133.12 57.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 125.658 1.583 . . . . 0.0 108.847 -169.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.06 137.48 32.31 Favored 'General case' 0 C--N 1.334 -0.085 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 169.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.6 t -69.52 112.28 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 169.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.4 tp -87.96 -40.06 14.22 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 123.952 0.901 . . . . 0.0 110.809 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.3 164.35 38.43 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.122 1.369 . . . . 0.0 109.495 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.2 p -136.82 148.88 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 125.278 1.431 . . . . 0.0 108.099 168.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -137.19 78.19 1.68 Allowed 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 125.498 1.519 . . . . 0.0 108.542 -169.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -56.55 -29.82 62.41 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.976 1.31 . . . . 0.0 111.962 -175.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -65.54 -14.24 60.65 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.591 0.756 . . . . 0.0 112.922 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 75.3 tttt -126.36 -9.98 6.36 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.877 1.271 . . . . 0.0 111.828 173.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.61 40.04 90.59 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -174.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -122.28 165.4 16.29 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.429 1.092 . . . . 0.0 110.632 -175.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 82.3 mt -138.29 141.84 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -173.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.8 m -108.97 149.83 28.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 168.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.5 mt -131.94 168.89 17.11 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.068 0.947 . . . . 0.0 109.657 -168.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 p -142.22 152.1 42.76 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.168 0.987 . . . . 0.0 110.093 172.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 23.5 mm -123.68 -32.38 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 126.348 1.859 . . . . 0.0 109.886 -176.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -55.57 -25.75 39.75 Favored 'General case' 0 C--O 1.223 -0.334 0 O-C-N 120.466 -1.396 . . . . 0.0 112.414 169.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.07 -20.67 60.92 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.4 p -116.52 -21.85 8.99 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.385 0.993 . . . . 0.0 112.645 -169.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -56.5 150.06 15.97 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.884 0.849 . . . . 0.0 110.462 171.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -131.96 19.29 4.56 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.01 1.724 . . . . 0.0 111.079 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.99 161.36 37.27 Favored Pre-proline 0 CA--C 1.535 0.396 0 C-N-CA 127.405 2.282 . . . . 0.0 107.922 176.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -53.91 -34.86 78.08 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 123.049 2.499 . . . . 0.0 113.823 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -145.58 165.6 28.2 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 125.404 1.482 . . . . 0.0 107.619 175.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -68.6 74.21 0.26 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.733 1.613 . . . . 0.0 109.456 170.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -59.49 146.98 38.39 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 169.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.26 158.06 24.27 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.385 0.612 . . . . 0.0 110.442 171.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.5 m -57.3 150.21 18.55 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.914 0.886 . . . . 0.0 111.519 175.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.23 150.82 70.19 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-O 118.927 -0.559 . . . . 0.0 109.863 173.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -64.79 160.71 39.4 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.347 2.031 . . . . 0.0 109.6 169.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.54 2.37 3.21 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -175.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -62.09 138.6 95.92 Favored Pre-proline 0 CA--C 1.54 0.594 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 168.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -64.27 143.0 82.07 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 121.354 1.37 . . . . 0.0 108.993 169.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -70.76 -38.88 73.49 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 122.073 -0.392 . . . . 0.0 110.416 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.76 161.3 30.06 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.27 0.628 . . . . 0.0 110.663 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.08 59.56 0.53 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.217 1.407 . . . . 0.0 109.64 166.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -80.62 -15.44 56.58 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.841 1.256 . . . . 0.0 111.287 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . 0.291 21.4 m 48.88 38.27 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 C-N-CA 126.471 1.908 . . . . 0.0 112.904 175.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 m -76.91 29.28 0.13 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.078 1.751 . . . . 0.0 113.448 -175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -136.62 179.57 6.29 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.587 1.555 . . . . 0.0 109.468 -177.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.88 -6.4 21.57 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.391 1.076 . . . . 0.0 112.836 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -144.68 171.35 14.51 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 126.521 1.928 . . . . 0.0 109.214 176.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.2 m -78.0 32.69 0.18 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.078 1.351 . . . . 0.0 112.088 174.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.53 -54.51 41.83 Favored Pre-proline 0 CA--C 1.539 0.521 0 C-N-CA 125.625 1.57 . . . . 0.0 113.754 -178.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.12 135.74 25.67 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 CA-C-N 121.899 1.714 . . . . 0.0 109.635 173.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -141.91 152.98 44.07 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.271 1.428 . . . . 0.0 108.508 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 160.84 -159.57 31.14 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 109.238 -1.545 . . . . 0.0 109.238 -171.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -58.19 162.16 3.71 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.408 0.683 . . . . 0.0 111.064 168.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -151.01 155.16 38.46 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.826 1.25 . . . . 0.0 107.68 178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.7 p -54.94 -33.66 62.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 58.5 tp -66.91 -47.71 70.91 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 119.774 1.17 . . . . 0.0 111.043 172.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -57.79 -30.31 65.58 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.37 0.532 . . . . 0.0 111.567 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -72.73 -17.25 61.63 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 177.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -137.01 -9.71 1.77 Allowed 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 -169.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -59.47 169.25 1.3 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 120.197 1.362 . . . . 0.0 112.516 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -129.07 -2.09 5.15 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.445 0.698 . . . . 0.0 111.698 -177.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -61.72 -21.07 64.18 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.092 -1.005 . . . . 0.0 113.131 -172.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -59.17 -15.78 16.61 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.985 1.314 . . . . 0.0 114.134 175.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 2.2 pp -67.78 -14.41 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 120.008 1.277 . . . . 0.0 113.552 170.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -59.02 137.36 57.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 119.288 0.949 . . . . 0.0 109.731 175.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 26.4 mmt -54.41 -34.69 61.83 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.794 0.838 . . . . 0.0 112.876 -171.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.0 m -55.06 -20.41 9.52 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.728 1.611 . . . . 0.0 113.933 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -118.02 -35.08 3.95 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.186 1.394 . . . . 0.0 111.732 172.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -52.81 -30.27 32.36 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.734 1.214 . . . . 0.0 112.308 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -45.58 -24.34 0.33 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.342 1.457 . . . . 0.0 114.646 173.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -62.19 -16.56 53.89 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 175.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -55.04 157.63 3.23 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 122.829 1.299 . . . . 0.0 113.558 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 21.4 tt -151.82 153.91 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 C-N-CA 126.208 1.803 . . . . 0.0 107.969 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.33 161.2 42.02 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.22 1.408 . . . . 0.0 110.513 175.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 62.1 tttp . . . . . 0 C--O 1.243 0.719 0 CA-C-O 116.95 -1.5 . . . . 0.0 109.515 176.425 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ttt . . . . . 0 N--CA 1.468 0.469 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.72 22.72 3.11 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.103 1.361 . . . . 0.0 110.767 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -148.38 172.69 14.02 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 127.001 2.12 . . . . 0.0 107.913 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -65.31 -12.56 53.03 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -138.81 158.85 43.47 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.854 1.261 . . . . 0.0 108.354 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -148.4 149.79 32.37 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.11 1.764 . . . . 0.0 107.294 170.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 36.0 m -45.38 132.36 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 124.488 1.115 . . . . 0.0 112.102 172.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.8 -13.4 64.46 Favored Glycine 0 CA--C 1.53 1.001 0 CA-C-O 117.61 -1.661 . . . . 0.0 113.797 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 m -65.06 164.18 13.41 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 118.929 1.364 . . . . 0.0 110.697 171.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.1 t -137.52 128.49 39.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -142.67 175.13 10.04 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 124.798 1.239 . . . . 0.0 109.592 -178.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.9 m -119.08 143.24 47.26 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.972 0.909 . . . . 0.0 108.552 178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.57 -175.42 24.1 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 124.778 1.18 . . . . 0.0 110.628 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -124.95 135.68 53.05 Favored 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 124.138 0.975 . . . . 0.0 109.906 -178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 t -73.5 126.08 33.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -175.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -118.52 -7.82 10.56 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 125.045 1.338 . . . . 0.0 112.012 -168.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -173.47 167.94 40.74 Favored Glycine 0 C--N 1.333 0.404 0 CA-C-N 119.502 1.046 . . . . 0.0 110.574 170.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.7 mt -137.05 148.21 46.65 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 124.659 1.183 . . . . 0.0 107.814 178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -149.11 155.6 40.94 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 127.379 2.271 . . . . 0.0 106.324 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.95 2.01 0.81 Allowed 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.05 1.129 . . . . 0.0 114.05 172.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -125.33 0.31 7.7 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.406 1.482 . . . . 0.0 113.9 173.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.24 177.97 38.65 Favored Glycine 0 CA--C 1.526 0.736 0 CA-C-N 120.27 1.395 . . . . 0.0 114.486 173.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.62 118.31 27.86 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 126.353 1.861 . . . . 0.0 107.863 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -71.15 139.66 50.3 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 173.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.1 t -136.16 111.54 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.16 131.7 46.32 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.289 0.636 . . . . 0.0 109.32 168.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.6 mt -106.6 -28.23 10.37 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 124.454 1.102 . . . . 0.0 110.688 -168.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -144.8 21.03 1.64 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.612 0.765 . . . . 0.0 110.062 -175.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 62.62 -11.48 0.08 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 128.823 2.849 . . . . 0.0 114.795 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -134.94 15.51 3.56 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.833 2.053 . . . . 0.0 109.331 176.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 m -147.93 147.39 29.65 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 171.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -150.71 154.91 38.27 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 124.384 1.074 . . . . 0.0 109.576 -168.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.05 -175.65 14.16 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 169.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 61.3 tp -133.67 106.16 7.23 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 124.188 0.995 . . . . 0.0 108.482 -169.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.7 t -63.26 114.57 1.82 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 165.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -71.98 143.94 49.04 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 174.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.8 tt -54.22 -42.58 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -169.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 m -61.08 -27.31 68.26 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.508 -0.745 . . . . 0.0 112.071 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -90.1 0.92 56.9 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.451 1.501 . . . . 0.0 111.701 -177.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.0 t -72.02 -31.82 41.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 119.709 1.141 . . . . 0.0 111.21 175.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.9 m -152.81 148.8 27.62 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 -172.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -76.35 37.18 0.16 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.425 1.89 . . . . 0.0 112.522 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 176.89 -158.65 24.65 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -169.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -51.8 150.83 3.78 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.344 1.057 . . . . 0.0 112.022 177.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -152.52 54.39 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 126.201 1.8 . . . . 0.0 107.514 -176.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 ptmm? -50.62 -35.45 30.43 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -171.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -147.62 131.37 16.97 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 168.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.7 tt -62.14 -32.47 54.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-O 117.861 -1.066 . . . . 0.0 113.256 -172.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -13.6 62.08 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.78 1.173 . . . . 0.0 113.864 177.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -89.58 1.92 55.35 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.246 0.619 . . . . 0.0 112.153 172.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -135.98 -20.85 1.47 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.671 1.189 . . . . 0.0 113.13 -171.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 tp -146.3 -179.99 7.12 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.263 1.825 . . . . 0.0 108.498 168.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.0 m -146.96 133.48 19.77 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -174.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.49 152.76 9.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 O-C-N 121.278 -0.888 . . . . 0.0 110.617 169.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.94 31.67 81.69 Favored Glycine 0 CA--C 1.526 0.761 0 CA-C-O 119.257 -0.746 . . . . 0.0 112.003 176.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -125.12 160.21 29.64 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -98.0 135.25 39.98 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 124.543 1.137 . . . . 0.0 109.302 176.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.4 m -142.46 147.0 21.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 124.519 1.127 . . . . 0.0 108.57 -173.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.435 ' H ' ' NE2' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -98.54 132.51 43.9 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.55 0.74 . . . . 0.0 109.439 169.472 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 m -129.0 147.4 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 C-N-CA 126.552 1.941 . . . . 0.0 109.309 -167.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -99.4 129.23 45.58 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 167.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.95 126.91 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 124.236 1.014 . . . . 0.0 108.753 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.2 tp -112.38 -32.02 6.63 Favored 'General case' 0 C--O 1.224 -0.261 0 C-N-CA 124.392 1.077 . . . . 0.0 111.289 -173.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -152.07 157.72 42.01 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.398 1.079 . . . . 0.0 108.657 171.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 65.4 t -136.43 132.71 49.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 169.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -146.61 84.48 1.62 Allowed 'General case' 0 C--O 1.233 0.195 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 176.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.03 -17.64 63.93 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.876 0.871 . . . . 0.0 112.76 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -71.07 -46.98 60.91 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 119.256 0.934 . . . . 0.0 109.682 173.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -68.96 -24.01 64.2 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 121.324 -0.86 . . . . 0.0 111.608 167.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 83.82 40.64 8.67 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 124.517 1.056 . . . . 0.0 111.648 177.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -144.49 169.01 18.78 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 122.383 1.087 . . . . 0.0 112.422 -173.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.2 mt -139.66 135.27 39.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 105.046 -2.205 . . . . 0.0 105.046 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.8 m -98.71 150.66 21.58 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 121.468 -0.77 . . . . 0.0 109.212 167.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.4 mt -135.62 171.03 15.04 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 124.594 1.158 . . . . 0.0 109.143 -170.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.5 p -145.9 151.33 37.69 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.197 0.999 . . . . 0.0 110.106 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 21.6 mm -122.22 -26.65 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 126.411 1.884 . . . . 0.0 110.414 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -55.47 -24.58 31.92 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 120.259 1.39 . . . . 0.0 112.694 167.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.32 -21.54 56.07 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 117.82 -1.086 . . . . 0.0 113.795 174.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.5 p -120.03 -19.69 7.73 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.361 0.982 . . . . 0.0 112.634 -168.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -139.43 172.79 12.3 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.507 1.523 . . . . 0.0 109.261 -174.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -142.47 166.11 25.56 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.47 1.508 . . . . 0.0 110.263 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.6 151.49 46.8 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 124.61 1.164 . . . . 0.0 109.903 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -71.56 168.82 22.53 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.824 2.349 . . . . 0.0 111.09 174.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.87 148.47 30.03 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.742 0.782 . . . . 0.0 110.492 167.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -127.99 123.98 36.11 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 172.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -95.1 -4.12 46.85 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 118.556 -0.735 . . . . 0.0 112.551 -171.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.52 158.98 13.79 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 124.496 1.118 . . . . 0.0 110.728 172.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.2 m -61.23 162.18 7.89 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.858 1.263 . . . . 0.0 111.924 172.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -133.88 151.73 77.4 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 124.652 1.181 . . . . 0.0 109.104 177.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -67.74 166.94 22.58 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 122.336 2.024 . . . . 0.0 110.232 171.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -57.66 -34.21 69.12 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -153.47 144.68 16.28 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 106.498 -1.667 . . . . 0.0 106.498 170.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -52.65 -31.63 50.95 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.139 2.559 . . . . 0.0 114.197 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -56.54 -18.27 11.17 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 175.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.71 -21.22 26.32 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 171.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.69 40.83 0.07 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.109 1.364 . . . . 0.0 113.118 172.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 70.2 mm-40 -142.55 -177.34 5.24 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.303 2.241 . . . . 0.0 108.861 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 31.1 m -124.86 -162.76 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.414 1.485 . . . . 0.0 109.081 173.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.9 m -62.31 -3.06 1.18 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.034 1.334 . . . . 0.0 114.419 177.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -147.31 167.58 23.94 Favored 'General case' 0 C--O 1.242 0.686 0 C-N-CA 127.634 2.373 . . . . 0.0 106.365 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -50.59 128.55 20.59 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.66 0.743 . . . . 0.0 110.092 169.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.31 16.7 0.43 Allowed 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -175.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.8 m 49.71 42.36 23.39 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.026 1.33 . . . . 0.0 110.979 -170.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -44.78 99.1 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 125.387 1.475 . . . . 0.0 114.578 -174.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -58.33 152.77 51.44 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.439 2.092 . . . . 0.0 112.281 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -152.86 168.97 24.01 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 124.57 1.148 . . . . 0.0 109.974 178.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -83.56 -170.42 46.36 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-O 121.525 0.514 . . . . 0.0 111.854 167.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -144.87 158.28 43.85 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.09 1.356 . . . . 0.0 108.739 175.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -45.12 -47.03 12.15 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.2 1.4 . . . . 0.0 113.012 178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.4 m 59.31 -81.91 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.037 1.735 . . . . 0.0 111.014 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 80.0 mt -140.95 7.79 2.06 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.232 1.413 . . . . 0.0 112.31 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -57.54 -34.43 69.14 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.342 0.974 . . . . 0.0 111.75 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -141.77 168.51 19.59 Favored 'General case' 0 C--O 1.241 0.656 0 C-N-CA 126.988 2.115 . . . . 0.0 107.145 168.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -141.53 156.99 45.68 Favored 'General case' 0 C--O 1.225 -0.208 0 O-C-N 120.695 -1.253 . . . . 0.0 111.053 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 59.7 mt -148.22 169.63 19.64 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.223 2.209 . . . . 0.0 107.286 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -58.34 -41.61 85.0 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.785 0.803 . . . . 0.0 110.337 172.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -151.98 145.79 25.1 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 166.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 52.0 t-105 -59.92 -29.4 68.34 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.106 -0.996 . . . . 0.0 113.093 -168.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 30.6 pt -57.5 -22.94 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 176.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -64.07 -9.33 15.65 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.007 0.821 . . . . 0.0 112.791 -177.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 23.2 ptt? -55.89 -26.02 45.32 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.1 -1.0 . . . . 0.0 113.219 167.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.4 m -140.47 -36.25 0.48 Allowed 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.289 1.036 . . . . 0.0 112.448 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -60.23 139.26 57.68 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 124.003 0.921 . . . . 0.0 110.995 174.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -141.42 162.17 36.13 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 125.406 1.482 . . . . 0.0 108.093 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -57.98 146.04 33.94 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 172.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -157.93 149.28 21.39 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 125.249 1.419 . . . . 0.0 108.202 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 55.7 tp -148.17 146.86 28.9 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.994 1.318 . . . . 0.0 108.462 174.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 44.6 pt -60.41 156.46 3.1 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 CA-C-O 122.62 1.2 . . . . 0.0 111.883 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -152.69 151.3 30.39 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.602 1.161 . . . . 0.0 108.297 173.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 62.1 pttt . . . . . 0 C--O 1.246 0.889 0 C-N-CA 125.839 1.656 . . . . 0.0 108.406 173.529 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 ttm . . . . . 0 N--CA 1.468 0.449 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.57 166.17 25.92 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.984 1.314 . . . . 0.0 109.236 174.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.5 173.93 13.51 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 125.216 1.406 . . . . 0.0 109.559 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -64.61 -14.9 60.01 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.355 1.062 . . . . 0.0 113.21 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -137.6 164.88 27.69 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 125.997 1.719 . . . . 0.0 107.783 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -146.98 148.5 31.78 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.343 1.057 . . . . 0.0 108.281 176.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.1 m -48.55 136.07 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 125.173 1.389 . . . . 0.0 111.499 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.95 -9.4 63.24 Favored Glycine 0 CA--C 1.533 1.16 0 CA-C-O 118.089 -1.395 . . . . 0.0 113.626 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 m -65.63 167.07 9.61 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 119.216 1.508 . . . . 0.0 110.339 169.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.7 t -140.11 127.98 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -142.34 170.29 15.99 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 124.227 1.011 . . . . 0.0 109.765 -178.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 m -115.95 144.33 44.22 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.79 -174.65 25.87 Favored Glycine 0 CA--C 1.518 0.266 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -173.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -126.9 136.96 53.03 Favored 'General case' 0 CA--C 1.514 -0.426 0 C-N-CA 123.508 0.723 . . . . 0.0 109.96 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.9 t -73.55 124.22 30.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 -172.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -108.75 -9.6 15.22 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.923 1.289 . . . . 0.0 112.534 -173.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.59 165.12 36.34 Favored Glycine 0 C--N 1.334 0.471 0 CA-C-N 119.315 0.961 . . . . 0.0 110.947 169.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.8 mt -122.64 157.41 32.25 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 124.535 1.134 . . . . 0.0 108.064 169.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -147.97 164.51 33.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 126.191 1.796 . . . . 0.0 107.418 -176.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.06 -10.15 9.26 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 175.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -135.34 7.96 3.38 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.985 1.314 . . . . 0.0 113.729 -174.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.5 178.59 42.74 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-N 119.791 1.178 . . . . 0.0 114.068 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -131.33 119.43 21.71 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 126.166 1.786 . . . . 0.0 108.091 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -75.35 141.4 43.34 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 176.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.6 t -136.81 113.2 12.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.07 141.38 52.81 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.6 mt -121.52 -30.83 4.15 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 124.094 0.957 . . . . 0.0 111.604 -168.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -158.77 162.3 37.07 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 126.503 1.921 . . . . 0.0 107.218 -170.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -57.48 -16.67 10.27 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.44 1.096 . . . . 0.0 113.85 -172.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -131.0 8.84 4.81 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.105 1.362 . . . . 0.0 111.779 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 m -139.4 141.07 37.55 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 120.638 -1.289 . . . . 0.0 111.404 -169.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -147.34 155.84 42.36 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 127.059 2.144 . . . . 0.0 107.305 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.27 -179.47 17.52 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.467 -1.053 . . . . 0.0 110.467 170.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.4 tp -128.94 113.93 15.82 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 124.203 1.001 . . . . 0.0 108.673 -172.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.1 t -70.21 119.96 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 104.891 -2.262 . . . . 0.0 104.891 167.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -76.48 146.59 38.42 Favored 'General case' 0 CA--C 1.527 0.087 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 172.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.7 tt -52.07 -34.69 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.367 0.667 . . . . 0.0 112.64 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -59.41 -13.74 9.64 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.619 1.568 . . . . 0.0 113.49 177.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -123.85 7.21 8.7 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 125.93 1.692 . . . . 0.0 111.159 -173.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.0 t -77.39 -36.15 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 119.291 0.95 . . . . 0.0 110.685 175.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 38.0 m -154.01 144.52 22.34 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -74.23 -36.38 63.92 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.771 -0.58 . . . . 0.0 111.024 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.01 173.03 55.04 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 168.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -61.87 107.58 0.87 Allowed 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 122.899 0.48 . . . . 0.0 110.89 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 p -71.83 83.06 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 124.885 1.274 . . . . 0.0 107.926 167.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -57.29 -30.64 64.89 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -152.34 117.59 5.25 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 169.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.4 tt -53.31 -35.16 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.395 1.078 . . . . 0.0 112.473 175.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -66.81 -6.32 15.66 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.141 0.977 . . . . 0.0 112.793 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -114.13 1.54 14.61 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.81 1.244 . . . . 0.0 111.392 177.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -127.02 -12.5 5.84 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.32 1.448 . . . . 0.0 112.468 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.73 171.45 14.39 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 127.883 2.473 . . . . 0.0 106.433 173.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 73.9 m -158.57 127.73 5.59 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.708 0.803 . . . . 0.0 109.128 -174.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.9 p -63.78 150.17 10.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 123.31 0.644 . . . . 0.0 110.203 170.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.01 33.51 65.37 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.731 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -130.29 161.29 31.56 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.921 0.888 . . . . 0.0 108.914 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -94.72 137.28 34.02 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 124.617 1.167 . . . . 0.0 108.964 174.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.7 m -142.72 151.2 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 124.946 1.298 . . . . 0.0 108.718 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -103.57 130.46 50.99 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 171.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 m -126.91 146.45 32.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 C-N-CA 126.338 1.855 . . . . 0.0 109.585 -169.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -94.74 137.51 33.73 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 167.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.7 t -68.88 113.16 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 170.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 25.7 tp -85.05 -43.31 14.04 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 124.042 0.937 . . . . 0.0 110.49 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.63 159.48 40.85 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 125.309 1.443 . . . . 0.0 108.838 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 66.5 t -132.57 138.78 51.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 173.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -141.61 57.75 1.51 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 125.25 1.42 . . . . 0.0 107.586 -176.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -61.48 -19.08 61.63 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.994 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -61.09 -38.71 87.25 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.076 0.55 . . . . 0.0 110.685 173.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -83.31 -49.37 9.45 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 168.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.18 36.41 0.95 Allowed Glycine 0 CA--C 1.525 0.693 0 C-N-CA 125.182 1.372 . . . . 0.0 111.403 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -134.02 171.57 14.02 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 119.04 1.42 . . . . 0.0 112.481 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 60.5 mt -140.35 145.51 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 m -110.77 150.6 28.87 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 168.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.5 mt -135.08 166.28 23.43 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 124.25 1.02 . . . . 0.0 109.351 -168.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.0 p -140.69 152.95 45.74 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.297 1.039 . . . . 0.0 110.255 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.7 mm -128.51 -33.92 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 126.482 1.913 . . . . 0.0 110.03 -173.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -56.82 -27.96 60.8 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 120.258 1.39 . . . . 0.0 111.714 169.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.8 97.96 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.362 1.065 . . . . 0.0 112.619 172.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.7 p -87.59 -32.89 19.09 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.789 0.722 . . . . 0.0 111.26 -174.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -78.22 9.72 3.57 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.251 1.421 . . . . 0.0 112.483 171.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.28 -8.16 23.2 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.84 154.95 6.54 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 123.72 0.808 . . . . 0.0 111.839 174.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -53.96 -29.03 52.28 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.732 2.955 . . . . 0.0 114.871 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -147.61 156.16 42.53 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.394 1.478 . . . . 0.0 107.919 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -123.74 -7.43 7.93 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.861 2.064 . . . . 0.0 112.935 -177.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -55.56 156.18 4.9 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.931 0.892 . . . . 0.0 109.336 168.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -140.23 158.51 43.93 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.774 1.23 . . . . 0.0 108.116 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.2 m -67.89 8.33 0.41 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.442 1.897 . . . . 0.0 114.822 -173.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -142.07 149.96 54.16 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 125.825 1.65 . . . . 0.0 108.365 173.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.79 173.73 10.57 Favored 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 122.91 2.407 . . . . 0.0 111.813 -178.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.1 ttt85 -58.47 -38.77 78.25 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.514 0.725 . . . . 0.0 110.99 170.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -58.26 145.34 74.8 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-O 118.509 -0.758 . . . . 0.0 109.881 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.51 152.49 16.0 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 123.004 2.47 . . . . 0.0 112.884 173.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -66.98 -27.01 67.09 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 119.143 -0.456 . . . . 0.0 111.574 169.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.64 161.58 5.95 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.852 0.861 . . . . 0.0 111.812 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -147.18 167.57 23.84 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 126.202 1.801 . . . . 0.0 108.967 175.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -57.58 140.69 50.29 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 122.613 0.365 . . . . 0.0 110.306 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 12.3 p -140.68 -19.48 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.266 1.027 . . . . 0.0 112.126 -178.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.9 m -58.62 -36.12 73.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.765 0.826 . . . . 0.0 111.749 177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -144.23 139.9 28.94 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 105.805 -1.924 . . . . 0.0 105.805 168.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -62.17 -35.1 77.78 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-O 121.652 0.739 . . . . 0.0 110.71 179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -146.45 133.22 20.02 Favored 'General case' 0 N--CA 1.461 0.1 0 C-N-CA 126.877 2.071 . . . . 0.0 106.153 169.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.1 m -64.59 160.03 20.53 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.828 0.823 . . . . 0.0 111.77 -173.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.2 p -64.18 158.48 63.89 Favored Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 124.615 1.166 . . . . 0.0 112.306 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.5 149.16 18.53 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.433 2.756 . . . . 0.0 112.166 169.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 52.34 28.38 5.69 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.865 1.266 . . . . 0.0 112.859 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -158.25 30.11 0.47 Allowed Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.827 1.203 . . . . 0.0 111.241 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.5 152.29 15.03 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.947 0.899 . . . . 0.0 111.497 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -141.59 121.58 13.68 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 124.81 1.244 . . . . 0.0 108.32 171.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.6 m -59.83 139.61 57.2 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 124.056 0.942 . . . . 0.0 110.143 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 67.0 tp -153.86 139.8 18.22 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.442 1.497 . . . . 0.0 107.429 174.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -150.51 146.32 26.53 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 173.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -157.63 151.62 24.37 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.352 1.461 . . . . 0.0 108.131 175.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -135.78 8.57 3.3 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.342 1.457 . . . . 0.0 113.127 172.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 48.8 tp -53.62 -21.58 7.04 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.36 0.982 . . . . 0.0 111.884 167.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -38.71 -36.5 0.26 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.439 2.296 . . . . 0.0 113.848 168.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.33 -15.86 63.72 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.224 -0.922 . . . . 0.0 112.877 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -139.26 -1.05 1.76 Allowed 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 124.589 1.156 . . . . 0.0 113.086 -174.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.8 tp -54.39 -31.89 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.75 1.22 . . . . 0.0 112.148 -174.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -140.38 49.44 1.72 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 169.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 3.1 mpp? 50.22 -139.58 0.87 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.754 1.222 . . . . 0.0 108.645 -173.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.7 m -83.27 -1.98 54.5 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.88 0.872 . . . . 0.0 112.962 170.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -77.04 -19.99 56.47 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.128 0.876 . . . . 0.0 113.175 -173.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -49.63 147.01 3.79 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 121.528 -0.733 . . . . 0.0 111.833 171.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.17 -42.43 85.98 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.653 0.781 . . . . 0.0 110.845 -170.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -146.85 -53.58 0.23 Allowed 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.126 0.891 . . . . 0.0 109.197 170.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 49.4 mt -140.59 -9.73 1.07 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.689 1.196 . . . . 0.0 111.97 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.4 pt -144.27 174.4 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 127.187 2.195 . . . . 0.0 108.056 174.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -153.26 157.88 40.83 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.341 1.056 . . . . 0.0 108.401 169.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.241 0.622 0 CA-C-O 117.439 -1.267 . . . . 0.0 108.378 167.616 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.471 0.615 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.39 169.97 16.66 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.308 1.443 . . . . 0.0 109.174 176.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -131.86 175.21 9.4 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.473 1.509 . . . . 0.0 110.507 178.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -134.46 26.25 3.77 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.196 1.399 . . . . 0.0 111.908 -172.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -135.02 164.53 27.41 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 125.78 1.632 . . . . 0.0 108.622 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -149.37 151.9 34.87 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 124.692 1.197 . . . . 0.0 108.83 176.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.4 m -55.78 140.55 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 122.087 0.946 . . . . 0.0 111.448 -175.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.16 -14.92 57.91 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.987 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -64.49 160.45 19.3 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.721 1.26 . . . . 0.0 110.351 173.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.8 t -136.7 125.18 35.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -142.93 173.47 11.52 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 124.491 1.117 . . . . 0.0 109.475 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.5 m -115.91 144.81 43.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.84 -174.93 24.56 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 124.617 1.103 . . . . 0.0 110.574 -172.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.46 123.99 32.93 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 -170.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.43 125.84 23.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 -176.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -111.74 -10.27 14.06 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 125.174 1.39 . . . . 0.0 112.635 -173.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.01 166.8 37.72 Favored Glycine 0 C--N 1.334 0.458 0 CA-C-N 119.677 1.126 . . . . 0.0 111.427 169.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.0 mt -125.67 146.99 49.49 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.791 1.236 . . . . 0.0 108.298 171.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -143.95 161.22 39.29 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 126.59 1.956 . . . . 0.0 107.562 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.42 -1.28 1.1 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -132.66 2.2 3.74 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.152 1.381 . . . . 0.0 113.528 178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.55 175.99 39.08 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-N 120.183 1.356 . . . . 0.0 114.441 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.72 120.18 34.92 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 126.658 1.983 . . . . 0.0 108.201 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -74.29 140.07 44.67 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 174.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.2 t -135.54 113.71 15.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 176.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.92 144.17 49.05 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 172.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.3 mt -123.26 -28.08 4.04 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.68 1.192 . . . . 0.0 110.773 -169.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -151.98 170.11 20.69 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 126.245 1.818 . . . . 0.0 107.204 175.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.23 -11.38 6.18 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -141.81 20.32 2.15 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.93 1.692 . . . . 0.0 111.482 -176.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.1 m -147.98 141.03 24.92 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 120.672 -1.267 . . . . 0.0 109.917 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -149.66 156.64 42.24 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 126.112 1.765 . . . . 0.0 107.626 -176.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.76 -179.79 19.14 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 172.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.5 tp -128.62 107.35 9.62 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 124.407 1.083 . . . . 0.0 109.204 -169.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.3 t -66.44 117.11 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 104.634 -2.358 . . . . 0.0 104.634 167.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -75.68 147.72 39.2 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.6 tt -53.96 -36.62 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 123.358 0.663 . . . . 0.0 112.714 -172.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.3 m -65.97 -6.82 13.82 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.298 1.439 . . . . 0.0 113.473 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -119.11 4.45 11.34 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.736 1.614 . . . . 0.0 111.078 -172.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.5 t -76.55 -31.0 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 119.01 0.823 . . . . 0.0 110.89 -176.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 t -162.03 165.38 27.4 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.344 1.058 . . . . 0.0 108.66 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -77.0 -22.15 53.58 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.019 0.528 . . . . 0.0 111.72 169.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -72.72 167.66 53.63 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 175.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -69.8 137.14 51.6 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 168.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.5 t -79.64 116.51 23.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -64.47 -55.18 22.49 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 173.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -157.86 142.9 16.7 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 129.314 3.046 . . . . 0.0 103.444 171.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.8 tt -55.22 -33.88 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-N 120.356 1.435 . . . . 0.0 113.602 -170.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -16.54 63.49 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 119.503 1.047 . . . . 0.0 113.119 178.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -75.91 -1.3 24.8 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.233 0.924 . . . . 0.0 111.806 173.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -139.26 -7.0 1.36 Allowed 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.387 0.994 . . . . 0.0 112.931 -175.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.407 ' HG ' ' H ' ' A' ' 53' ' ' SER . 3.8 tp -152.88 179.22 8.86 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.052 1.341 . . . . 0.0 109.09 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.407 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 55.8 m -149.36 139.55 22.2 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.097 1.359 . . . . 0.0 109.497 -173.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.9 t -72.62 152.34 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 168.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.19 28.86 69.4 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 119.136 -0.813 . . . . 0.0 111.462 174.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -123.39 160.34 27.02 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 177.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -99.08 134.59 41.7 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 124.439 1.096 . . . . 0.0 108.045 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.4 m -142.31 148.28 20.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 124.592 1.157 . . . . 0.0 108.425 -173.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -99.63 133.54 43.82 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 173.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.7 m -126.94 147.51 31.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 C-N-CA 125.768 1.627 . . . . 0.0 109.494 -169.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -103.94 127.39 51.48 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 168.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.3 t -64.55 126.09 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.9 tp -112.21 -31.56 6.82 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 124.739 1.216 . . . . 0.0 111.328 -172.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.48 157.52 39.96 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 124.522 1.129 . . . . 0.0 108.712 171.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.1 t -138.39 136.33 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 170.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -142.77 76.22 1.52 Allowed 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 170.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -66.93 -18.57 65.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.417 -0.81 . . . . 0.0 112.924 -174.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -73.62 -44.29 57.39 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.212 0.605 . . . . 0.0 109.707 173.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -67.38 -28.92 68.33 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 121.648 -0.658 . . . . 0.0 110.349 169.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 89.21 37.29 7.2 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 124.441 1.019 . . . . 0.0 111.585 -178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -133.42 156.47 47.63 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.435 1.117 . . . . 0.0 110.598 -174.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 73.1 mt -140.55 138.77 35.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 104.474 -2.417 . . . . 0.0 104.474 174.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.5 m -109.64 146.27 35.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 171.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 90.0 mt -133.07 171.56 13.81 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 124.534 1.133 . . . . 0.0 109.0 -169.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 p -145.66 152.38 39.54 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.812 0.845 . . . . 0.0 110.156 176.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.0 mm -124.83 -32.13 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 126.353 1.861 . . . . 0.0 109.591 -177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -58.68 -23.78 60.03 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 119.879 1.218 . . . . 0.0 112.078 169.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.97 -22.88 63.11 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.104 0.962 . . . . 0.0 113.497 173.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 71.3 p -116.65 -28.63 6.33 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.906 0.882 . . . . 0.0 112.394 -169.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -153.93 -169.32 3.23 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 126.777 2.031 . . . . 0.0 109.073 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -143.69 158.1 43.92 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.793 1.237 . . . . 0.0 108.592 169.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -148.57 80.37 8.35 Favored Pre-proline 0 CA--C 1.53 0.194 0 C-N-CA 124.118 0.967 . . . . 0.0 108.427 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.91 -40.39 75.7 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.611 2.208 . . . . 0.0 111.979 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -161.87 129.03 3.9 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 169.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -67.17 128.65 37.17 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 171.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -146.91 161.57 40.46 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.918 0.887 . . . . 0.0 109.886 -174.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -157.0 168.97 25.92 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 125.168 1.387 . . . . 0.0 107.517 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.0 m -66.45 7.49 0.32 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.363 1.865 . . . . 0.0 114.894 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -149.57 157.16 39.01 Favored Pre-proline 0 N--CA 1.467 0.378 0 C-N-CA 125.374 1.47 . . . . 0.0 109.84 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -62.12 154.87 59.59 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.434 2.089 . . . . 0.0 110.941 175.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -63.82 126.17 26.74 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.233 0.613 . . . . 0.0 109.829 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -71.97 163.05 70.02 Favored Pre-proline 0 CA--C 1.543 0.709 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 168.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -50.84 155.92 5.2 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 123.073 2.516 . . . . 0.0 112.589 169.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -61.43 -52.39 64.75 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 171.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -158.86 151.34 21.66 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 127.171 2.188 . . . . 0.0 107.492 169.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -57.37 136.13 56.57 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.93 0.492 . . . . 0.0 110.288 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 60.28 -26.97 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 128.118 2.567 . . . . 0.0 115.755 -176.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 60.2 t -69.54 -39.07 78.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 120.146 1.339 . . . . 0.0 109.887 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.2 m -61.28 145.14 52.38 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.798 0.439 . . . . 0.0 110.392 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -68.97 -16.09 63.65 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.42 0.688 . . . . 0.0 112.249 170.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -137.25 55.88 1.8 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.799 1.64 . . . . 0.0 107.571 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.6 -6.45 15.31 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 m -53.7 156.09 2.86 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.871 1.668 . . . . 0.0 112.173 176.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.3 p -59.11 156.13 29.44 Favored Pre-proline 0 CA--C 1.542 0.641 0 C-N-CA 123.889 0.876 . . . . 0.0 111.233 169.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -64.85 155.8 65.6 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 122.544 2.163 . . . . 0.0 110.463 173.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -56.93 135.55 56.02 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 123.279 0.632 . . . . 0.0 109.895 -178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 54.91 20.8 21.09 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.466 1.031 . . . . 0.0 113.984 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.0 t80 48.05 33.53 3.57 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.23 1.412 . . . . 0.0 112.203 -169.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -65.98 143.62 57.27 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 121.684 -0.635 . . . . 0.0 109.997 174.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 p -136.5 14.35 3.2 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.819 1.247 . . . . 0.0 112.133 -173.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.8 pp -147.24 161.86 40.08 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.057 0.943 . . . . 0.0 111.147 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -66.21 114.41 5.28 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 169.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -55.87 130.39 43.4 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 123.95 0.781 . . . . 0.0 111.259 -174.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -69.33 158.76 34.43 Favored 'General case' 0 C--O 1.219 -0.52 0 C-N-CA 123.499 0.72 . . . . 0.0 110.603 -175.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.0 tt 46.73 51.12 12.66 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.704 1.202 . . . . 0.0 110.238 -176.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.55 -34.57 75.79 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.593 169.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -139.78 163.71 31.89 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 126.82 2.048 . . . . 0.0 106.975 170.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 14.4 m-90 -62.29 161.16 11.85 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.775 0.797 . . . . 0.0 111.424 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 36.2 pt -135.1 157.1 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 125.608 1.563 . . . . 0.0 109.517 -173.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.08 149.72 49.84 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 123.094 0.558 . . . . 0.0 109.62 176.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 98.1 mtp -58.65 -34.67 71.47 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.229 0.611 . . . . 0.0 111.202 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.8 m -71.57 -4.97 29.95 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.384 1.074 . . . . 0.0 113.545 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -82.9 12.87 4.37 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 120.978 -1.076 . . . . 0.0 113.186 -174.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.15 160.91 37.21 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 120.584 -1.323 . . . . 0.0 108.762 173.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -54.72 -27.26 39.41 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.034 0.933 . . . . 0.0 112.006 174.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -54.27 -24.31 18.34 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.416 1.486 . . . . 0.0 114.443 177.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 66.8 tp -142.55 112.96 7.22 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 119.265 0.939 . . . . 0.0 109.409 173.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 46.9 pt -140.22 165.32 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.847 1.659 . . . . 0.0 109.057 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -55.76 116.5 2.97 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.405 0.682 . . . . 0.0 109.205 172.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 C--O 1.24 0.593 0 CA-C-O 118.066 -0.969 . . . . 0.0 108.464 172.284 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.471 0.575 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.6 156.12 24.16 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 124.115 0.884 . . . . 0.0 111.449 172.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.54 166.5 6.65 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.208 0.603 . . . . 0.0 111.883 169.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -61.03 -30.51 70.36 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 172.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -69.01 143.86 54.24 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.124 0.97 . . . . 0.0 109.089 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -142.48 150.15 40.15 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 125.707 1.603 . . . . 0.0 107.255 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 17.0 t -53.09 129.87 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 124.455 1.102 . . . . 0.0 110.109 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.96 -13.24 67.46 Favored Glycine 0 CA--C 1.528 0.886 0 CA-C-O 117.873 -1.515 . . . . 0.0 113.262 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -65.14 164.68 12.64 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 119.004 1.402 . . . . 0.0 110.648 172.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 48.7 t -138.28 128.75 35.46 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.072 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -145.51 175.87 10.02 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.318 1.447 . . . . 0.0 109.023 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 16.1 m -125.42 145.34 50.11 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 -176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.87 -179.62 31.96 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -173.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -110.31 135.68 50.67 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 118.861 -0.59 . . . . 0.0 109.607 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.2 t -68.8 128.26 31.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -118.38 -7.32 10.7 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.056 1.342 . . . . 0.0 112.35 -171.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.68 164.57 34.87 Favored Glycine 0 C--N 1.335 0.475 0 CA-C-N 119.909 1.231 . . . . 0.0 110.756 168.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.5 mt -123.55 149.37 45.34 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 124.844 1.258 . . . . 0.0 108.518 168.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -143.91 161.17 39.39 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 126.997 2.119 . . . . 0.0 107.467 177.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.05 -3.37 1.21 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.5 p90 -132.74 2.87 3.77 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.214 1.406 . . . . 0.0 113.687 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.02 176.07 39.97 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-N 120.042 1.292 . . . . 0.0 114.418 174.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -120.82 119.87 33.95 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 126.555 1.942 . . . . 0.0 108.486 -178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -72.34 140.14 48.31 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 173.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.3 t -133.72 112.93 17.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 173.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.69 147.3 45.82 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.879 0.847 . . . . 0.0 110.172 171.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 51.4 mt -128.7 -27.77 2.55 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.42 1.488 . . . . 0.0 110.595 -169.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -152.94 161.23 42.8 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 126.72 2.008 . . . . 0.0 106.459 175.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -53.67 -17.04 1.9 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 172.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -133.88 26.72 3.96 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.199 1.399 . . . . 0.0 111.509 175.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.5 m -146.34 140.5 26.46 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.662 -1.274 . . . . 0.0 111.294 168.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -150.98 156.42 41.13 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 126.477 1.911 . . . . 0.0 107.51 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.24 178.36 20.34 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 172.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 66.6 tp -126.54 106.57 9.53 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 123.834 0.854 . . . . 0.0 108.838 -168.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.78 115.87 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 165.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -73.59 145.16 45.65 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 174.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.3 tt -52.22 -42.6 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -170.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.0 m -68.75 -9.42 50.64 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.971 0.908 . . . . 0.0 112.869 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -112.47 12.63 20.04 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 126.149 1.78 . . . . 0.0 111.374 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.9 t -74.72 -34.52 34.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 O-C-N 120.473 -1.392 . . . . 0.0 111.279 172.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 t -165.24 -161.18 0.52 Allowed 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -49.79 -33.05 15.36 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 127.314 2.245 . . . . 0.0 113.54 -169.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 147.32 -12.54 1.39 Allowed Glycine 0 CA--C 1.529 0.931 0 CA-C-N 119.396 0.998 . . . . 0.0 113.01 171.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -77.5 27.63 0.16 Allowed 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.499 1.52 . . . . 0.0 112.979 -174.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 t -79.31 55.84 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 C-N-CA 128.043 2.537 . . . . 0.0 110.696 -170.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -52.4 -33.39 43.36 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 125.595 1.558 . . . . 0.0 112.835 173.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -146.58 140.13 25.87 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 167.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.2 tt -74.79 -34.22 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -172.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -19.55 65.88 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 119.045 0.839 . . . . 0.0 112.972 178.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -77.52 -5.86 51.56 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 117.767 0.258 . . . . 0.0 111.484 174.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -134.81 -19.6 1.8 Allowed 'General case' 0 CA--C 1.535 0.38 0 O-C-N 120.402 -1.436 . . . . 0.0 113.214 -168.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' HG ' ' H ' ' A' ' 53' ' ' SER . 3.5 tp -145.64 176.33 9.71 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.738 1.215 . . . . 0.0 110.009 170.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.408 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 66.1 m -148.02 134.58 19.78 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 124.763 1.225 . . . . 0.0 109.643 -168.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.4 t -67.48 151.2 10.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 166.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.92 39.34 93.31 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -125.47 154.39 42.12 Favored 'General case' 0 C--O 1.235 0.301 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 168.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -92.89 133.39 36.14 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 169.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 27.2 m -140.02 142.76 31.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 -175.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -90.56 133.55 35.0 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 171.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.09 141.2 47.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 126.56 1.944 . . . . 0.0 108.947 -169.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -93.4 132.11 37.95 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 165.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.5 t -64.78 115.04 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 171.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.3 tp -95.9 -32.69 12.52 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 124.456 1.102 . . . . 0.0 111.276 -175.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.92 161.39 38.23 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.74 1.216 . . . . 0.0 109.133 172.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.9 t -135.43 143.45 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 106.28 -1.748 . . . . 0.0 106.28 168.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -140.0 73.25 1.42 Allowed 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.971 1.308 . . . . 0.0 108.34 -173.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -57.93 -19.93 33.7 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.226 1.41 . . . . 0.0 113.903 -176.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -65.35 -24.99 67.39 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.419 0.688 . . . . 0.0 110.995 175.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -121.95 -5.24 9.05 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 124.764 1.225 . . . . 0.0 111.547 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.65 39.46 96.74 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.769 -0.533 . . . . 0.0 111.769 -174.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -113.24 158.8 20.03 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 117.946 0.873 . . . . 0.0 110.113 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 61.2 mt -141.11 138.26 33.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 N-CA-C 105.527 -2.027 . . . . 0.0 105.527 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -109.7 149.57 29.56 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 169.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.0 mt -133.53 169.34 17.12 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 124.254 1.022 . . . . 0.0 109.478 -169.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.6 t -139.06 148.72 43.72 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.524 1.129 . . . . 0.0 108.777 175.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 27.2 mm -122.71 -26.03 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 C-N-CA 127.189 2.195 . . . . 0.0 109.155 173.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.94 -29.22 62.96 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 119.291 -2.131 . . . . 0.0 111.108 168.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.17 -28.78 69.99 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 117.959 -1.02 . . . . 0.0 113.523 172.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.1 p -110.3 -20.07 12.76 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.25 1.02 . . . . 0.0 112.289 -169.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -124.0 61.1 1.1 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.357 1.863 . . . . 0.0 109.058 166.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.6 57.78 0.29 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.526 1.93 . . . . 0.0 112.565 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 41.85 59.27 9.63 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 126.427 1.891 . . . . 0.0 113.344 -172.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -68.78 -16.37 41.66 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.574 2.183 . . . . 0.0 112.343 170.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -135.71 -173.42 3.36 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.837 2.455 . . . . 0.0 106.882 176.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -53.19 159.66 1.24 Allowed 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.045 -1.66 . . . . 0.0 110.504 166.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -52.02 154.75 2.09 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 122.771 0.428 . . . . 0.0 111.167 175.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -77.9 81.95 4.29 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 123.498 0.719 . . . . 0.0 109.316 -172.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.3 m -55.41 -30.34 60.23 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.359 1.064 . . . . 0.0 112.892 177.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -141.87 165.31 28.78 Favored Pre-proline 0 CA--C 1.536 0.438 0 C-N-CA 126.258 1.823 . . . . 0.0 108.766 165.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -58.18 163.65 9.69 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.895 2.397 . . . . 0.0 113.27 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -64.2 -23.0 67.15 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 172.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -133.89 84.27 44.24 Favored Pre-proline 0 N--CA 1.46 0.052 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.8 -37.6 97.66 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.236 2.624 . . . . 0.0 112.822 -178.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -145.66 -63.28 0.33 Allowed 'General case' 0 C--N 1.343 0.302 0 C-N-CA 124.507 1.123 . . . . 0.0 108.786 172.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -151.84 168.55 24.75 Favored 'General case' 0 C--O 1.223 -0.333 0 C-N-CA 125.463 1.505 . . . . 0.0 108.265 173.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.66 -8.21 52.68 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.886 0.875 . . . . 0.0 113.204 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -133.02 157.52 45.01 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.064 1.746 . . . . 0.0 107.223 171.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . 0.263 35.4 m 44.03 37.26 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.257 1.423 . . . . 0.0 112.06 -171.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.7 m -58.39 146.11 35.98 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.32 1.448 . . . . 0.0 109.927 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -155.09 156.36 35.69 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 -175.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -71.97 -21.27 61.61 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.433 1.093 . . . . 0.0 112.535 -171.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.85 163.52 38.44 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.954 0.883 . . . . 0.0 111.181 -173.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.4 m -133.82 173.58 11.39 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 125.672 1.589 . . . . 0.0 109.424 -174.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.4 p -54.06 152.79 10.1 Favored Pre-proline 0 CA--C 1.546 0.804 0 C-N-CA 125.387 1.475 . . . . 0.0 111.33 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.52 -12.28 22.54 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.717 2.945 . . . . 0.0 112.709 -171.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -131.6 173.04 11.53 Favored 'General case' 0 C--O 1.221 -0.446 0 C-N-CA 126.929 2.092 . . . . 0.0 107.867 167.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -147.43 -179.41 23.45 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 107.829 -2.108 . . . . 0.0 107.829 166.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -77.49 49.75 0.75 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.994 0.917 . . . . 0.0 111.093 176.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -158.15 -39.43 0.07 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.338 2.255 . . . . 0.0 111.227 -174.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.7 p -69.86 166.66 18.97 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.553 0.741 . . . . 0.0 112.215 -178.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.2 tp -142.05 118.17 10.69 Favored 'General case' 0 C--N 1.338 0.1 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 169.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -141.66 149.69 40.95 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 125.304 1.442 . . . . 0.0 107.45 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -69.31 -25.9 64.45 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.455 0.702 . . . . 0.0 111.58 177.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 43.2 mttm -137.96 175.02 9.95 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 125.133 1.373 . . . . 0.0 108.874 -175.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 59.4 tp -55.61 -35.63 66.06 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.495 0.718 . . . . 0.0 112.024 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -141.82 152.23 43.49 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 169.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -135.14 -10.82 2.24 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.709 1.603 . . . . 0.0 111.174 -171.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -140.75 142.3 34.77 Favored 'General case' 0 C--N 1.34 0.161 0 O-C-N 120.728 -1.232 . . . . 0.0 109.786 175.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.4 tt -155.14 140.53 10.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 125.353 1.461 . . . . 0.0 107.306 168.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -157.19 -46.54 0.07 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.094 0.958 . . . . 0.0 108.698 169.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -157.28 156.81 33.08 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 125.303 1.441 . . . . 0.0 108.131 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m 50.36 35.98 12.03 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.833 1.253 . . . . 0.0 112.43 170.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -65.93 153.56 41.72 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.545 0.688 . . . . 0.0 111.971 -174.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -61.4 168.83 2.53 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.798 1.639 . . . . 0.0 111.549 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -56.84 158.65 4.59 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.231 -0.918 . . . . 0.0 110.352 176.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -81.43 -27.5 34.67 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.67 0.747 . . . . 0.0 111.705 169.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -60.95 127.33 31.06 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.06 1.344 . . . . 0.0 109.893 -175.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 37.1 pt -58.59 157.64 1.76 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.055 1.342 . . . . 0.0 112.861 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -66.04 -21.77 66.4 Favored 'General case' 0 C--O 1.223 -0.319 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 95.0 mttt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 116.317 -1.801 . . . . 0.0 110.665 -178.131 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.497 0 CA-C-O 118.598 -0.715 . . . . 0.0 109.787 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.58 154.26 17.97 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.453 0.57 . . . . 0.0 111.131 174.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.46 -149.66 0.29 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 125.582 1.553 . . . . 0.0 108.204 176.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -56.87 -18.56 13.6 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.755 0.822 . . . . 0.0 112.472 169.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -130.72 163.69 26.7 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 126.263 1.825 . . . . 0.0 107.957 176.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -143.61 145.83 32.8 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.016 1.327 . . . . 0.0 107.759 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 m -54.1 138.41 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 122.259 1.028 . . . . 0.0 111.141 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.02 -18.11 49.67 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 117.925 -1.486 . . . . 0.0 112.83 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 m -63.33 165.5 7.51 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.001 1.401 . . . . 0.0 110.751 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.6 t -138.98 127.95 29.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 106.287 -1.746 . . . . 0.0 106.287 -178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -140.47 177.82 7.75 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.53 1.132 . . . . 0.0 109.385 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.3 m -118.05 145.42 44.82 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.92 -176.28 27.88 Favored Glycine 0 CA--C 1.519 0.335 0 N-CA-C 110.457 -1.057 . . . . 0.0 110.457 -175.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -127.31 136.12 51.49 Favored 'General case' 0 CA--C 1.512 -0.499 0 C-N-CA 123.675 0.79 . . . . 0.0 109.393 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 t -72.16 125.92 31.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 -175.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -115.81 -8.75 11.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 125.044 1.338 . . . . 0.0 112.557 -171.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -172.34 168.12 41.14 Favored Glycine 0 C--N 1.332 0.352 0 CA-C-N 119.344 0.974 . . . . 0.0 110.888 170.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.3 mt -132.61 146.91 52.27 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.086 1.354 . . . . 0.0 107.399 174.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -143.23 160.48 40.39 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 127.044 2.138 . . . . 0.0 106.426 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.89 -4.47 2.17 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 174.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -126.58 4.34 6.82 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 124.828 1.251 . . . . 0.0 113.017 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.4 179.96 38.84 Favored Glycine 0 CA--C 1.526 0.771 0 CA-C-N 120.148 1.34 . . . . 0.0 114.773 176.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -123.63 119.99 31.47 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 126.707 2.003 . . . . 0.0 108.045 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -73.65 140.29 46.03 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 174.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.3 t -135.84 112.63 13.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.04 143.06 50.85 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 171.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.2 mt -121.91 -28.31 4.48 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.859 1.263 . . . . 0.0 110.684 -169.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -152.24 167.99 26.82 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 126.584 1.954 . . . . 0.0 106.937 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -58.52 -14.88 9.04 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 124.982 1.313 . . . . 0.0 112.957 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -133.22 9.89 4.1 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.595 1.158 . . . . 0.0 111.88 -177.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 m -144.6 142.12 29.92 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 120.268 -1.52 . . . . 0.0 110.483 -174.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -150.26 156.13 41.0 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 126.156 1.782 . . . . 0.0 108.014 -173.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.52 -177.95 15.79 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 170.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.0 tp -131.39 106.36 8.21 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 124.527 1.131 . . . . 0.0 108.907 -170.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 48.3 t -65.7 116.37 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 104.688 -2.338 . . . . 0.0 104.688 167.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -74.3 149.29 40.74 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 176.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.3 tt -56.11 -37.5 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.175 -0.953 . . . . 0.0 112.26 -176.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -68.2 -3.58 11.14 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.483 1.513 . . . . 0.0 113.504 176.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -121.9 -0.22 9.6 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.612 1.965 . . . . 0.0 110.428 -174.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.2 t -70.42 -35.55 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 120.831 -1.168 . . . . 0.0 110.435 176.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 t -155.37 176.81 12.1 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.774 0.797 . . . . 0.0 110.178 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.1 p-80 -61.05 3.71 0.09 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 128.903 2.881 . . . . 0.0 115.412 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -175.69 -168.85 36.62 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -172.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -67.09 142.06 57.24 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 117.87 0.835 . . . . 0.0 110.131 174.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.6 m -81.24 -8.36 11.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 125.533 1.533 . . . . 0.0 113.795 -175.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt 73.16 -52.14 0.71 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 127.43 2.292 . . . . 0.0 109.641 -167.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -160.31 138.75 10.2 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 127.406 2.282 . . . . 0.0 105.447 167.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.0 tt -57.08 -34.08 44.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -171.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -14.47 62.93 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 119.526 1.057 . . . . 0.0 113.113 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -83.99 -8.4 59.16 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 118.832 0.742 . . . . 0.0 111.475 177.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -134.81 -5.22 2.47 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -175.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.429 ' HG ' ' H ' ' A' ' 53' ' ' SER . 4.5 tp -145.97 176.65 9.54 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.264 1.026 . . . . 0.0 109.314 170.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.429 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 20.3 m -138.96 136.13 35.09 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.123 1.369 . . . . 0.0 108.147 -176.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.5 p -77.89 150.71 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 168.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.21 33.4 85.04 Favored Glycine 0 CA--C 1.531 1.045 0 CA-C-O 119.052 -0.86 . . . . 0.0 111.785 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -126.71 163.42 23.56 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.167 0.987 . . . . 0.0 108.605 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -103.34 135.87 44.16 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 125.097 1.359 . . . . 0.0 108.769 -177.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.6 m -145.04 147.08 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.854 1.262 . . . . 0.0 109.289 -170.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -91.92 135.75 33.69 Favored 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 168.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.7 m -129.7 144.81 36.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 125.905 1.682 . . . . 0.0 109.885 -173.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -96.77 133.35 41.46 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 168.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.24 117.6 8.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 171.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.7 tp -95.33 -38.49 10.5 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 124.18 0.992 . . . . 0.0 110.976 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.79 159.49 40.65 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.345 1.458 . . . . 0.0 108.752 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 p -147.11 140.97 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 170.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -146.55 109.82 4.76 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -77.28 -21.61 53.35 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.438 0.695 . . . . 0.0 112.355 -174.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -73.37 -44.21 59.12 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 119.091 0.859 . . . . 0.0 109.115 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -68.7 -27.09 65.65 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 124.32 1.048 . . . . 0.0 110.64 169.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.02 50.58 59.69 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.14 -1.184 . . . . 0.0 110.14 -171.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -138.26 158.78 43.61 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.654 1.181 . . . . 0.0 110.125 -175.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 64.9 mt -138.65 133.56 42.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 104.6 -2.371 . . . . 0.0 104.6 174.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 m -102.6 147.88 26.25 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 170.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.5 mt -134.52 167.28 21.06 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.905 0.882 . . . . 0.0 109.447 -170.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.5 m -136.55 148.22 47.46 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 124.052 0.941 . . . . 0.0 109.844 172.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.7 mm -114.96 -24.51 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 126.867 2.067 . . . . 0.0 109.512 169.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -56.66 -27.02 57.81 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 119.955 -1.716 . . . . 0.0 112.565 171.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.3 -31.09 67.02 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 174.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.6 p -101.85 -16.46 16.56 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.157 0.983 . . . . 0.0 111.981 -173.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -116.12 42.25 2.41 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 127.38 2.272 . . . . 0.0 108.415 169.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.28 -46.92 86.64 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 123.176 0.59 . . . . 0.0 110.183 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.45 140.47 90.01 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-O 117.477 -1.249 . . . . 0.0 107.873 167.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -48.06 108.01 0.16 Allowed 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 123.878 3.052 . . . . 0.0 113.133 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -150.77 155.82 40.03 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 126.053 1.741 . . . . 0.0 106.834 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -141.74 177.22 8.32 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.582 1.553 . . . . 0.0 108.56 -178.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -55.26 169.2 0.28 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.758 0.789 . . . . 0.0 110.598 168.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -130.31 166.94 19.33 Favored 'General case' 0 C--O 1.242 0.661 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 168.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.5 m -140.14 -38.92 0.45 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.427 0.691 . . . . 0.0 111.729 -177.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -67.24 -29.53 2.58 Favored Pre-proline 0 N--CA 1.472 0.658 0 CA-C-O 115.451 -2.214 . . . . 0.0 116.84 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.88 158.94 15.57 Favored 'Trans proline' 0 C--N 1.349 0.559 0 CA-C-N 123.332 2.226 . . . . 0.0 112.937 177.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -60.48 119.08 7.34 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 169.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -68.48 -55.49 11.87 Favored Pre-proline 0 N--CA 1.465 0.305 0 CA-C-O 117.394 -1.288 . . . . 0.0 111.629 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.75 156.14 67.16 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 CA-C-N 121.652 1.626 . . . . 0.0 110.633 173.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -131.5 1.47 4.1 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.176 0.99 . . . . 0.0 112.497 178.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.0 161.03 22.37 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.976 0.51 . . . . 0.0 110.787 173.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.88 -23.7 64.24 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 122.845 0.458 . . . . 0.0 112.027 170.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -57.28 142.8 41.96 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.139 0.975 . . . . 0.0 109.016 169.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 7.5 m -137.22 147.32 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 124.483 1.113 . . . . 0.0 109.774 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.4 m -131.08 -175.03 3.55 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.667 1.587 . . . . 0.0 109.373 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -40.7 70.91 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.955 -0.466 . . . . 0.0 112.188 176.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 51.02 33.7 9.48 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.356 1.862 . . . . 0.0 112.333 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -142.16 13.95 2.03 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.528 1.531 . . . . 0.0 111.672 -177.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.9 m -59.81 158.61 10.2 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.763 1.225 . . . . 0.0 111.627 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.9 p -60.95 160.51 20.31 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 124.153 0.981 . . . . 0.0 111.306 169.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.09 146.55 29.88 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 123.209 2.606 . . . . 0.0 111.725 170.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -145.13 156.57 43.97 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 125.384 1.474 . . . . 0.0 107.877 176.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.54 -167.31 38.74 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -66.61 -5.36 11.3 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.223 1.009 . . . . 0.0 113.713 175.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -139.25 154.05 47.92 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 126.278 1.831 . . . . 0.0 108.408 -177.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.4 m -50.57 122.57 7.34 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.376 1.47 . . . . 0.0 110.446 -178.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 85.6 mt 45.38 37.43 2.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.549 1.539 . . . . 0.0 112.923 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.6 tttp 55.16 -74.94 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 127.686 2.395 . . . . 0.0 112.579 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -144.92 2.04 1.02 Allowed 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.938 1.295 . . . . 0.0 112.054 -173.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 37.6 tptt -57.86 140.84 50.99 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 120.212 -1.555 . . . . 0.0 109.311 176.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 44.3 tp -145.86 162.88 36.71 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 126.386 1.874 . . . . 0.0 107.444 176.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -144.12 167.9 21.3 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 125.684 1.594 . . . . 0.0 108.917 175.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -139.48 171.2 14.6 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.82 1.248 . . . . 0.0 109.381 -174.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -128.13 24.96 5.92 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.657 1.183 . . . . 0.0 110.889 -171.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 48.8 pt -59.48 -11.1 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 125.281 1.432 . . . . 0.0 113.802 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -54.97 -30.75 59.83 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.214 0.916 . . . . 0.0 112.14 168.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 20.7 mmt -84.74 15.72 3.71 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.6 1.16 . . . . 0.0 112.509 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.9 m -138.77 25.05 2.59 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.262 2.225 . . . . 0.0 109.171 176.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -144.68 175.1 10.42 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 126.791 2.037 . . . . 0.0 108.176 -171.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -51.92 -26.0 9.37 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -172.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -56.94 -46.88 81.76 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 119.554 1.07 . . . . 0.0 111.181 173.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -159.2 121.53 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 124.224 1.01 . . . . 0.0 109.278 175.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -156.45 160.88 39.99 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 125.669 1.587 . . . . 0.0 109.722 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 45.8 pt -65.64 150.36 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-O 121.445 0.641 . . . . 0.0 110.498 174.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -142.12 159.53 42.04 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.509 1.523 . . . . 0.0 108.262 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 64.9 mttp . . . . . 0 CA--C 1.543 0.688 0 CA-C-O 117.361 -1.304 . . . . 0.0 109.304 171.809 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 47.11 28.55 0.96 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.676 1.591 . . . . 0.0 114.091 -174.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.61 176.01 7.64 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 122.6 1.19 . . . . 0.0 110.589 175.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -54.92 -41.14 70.64 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.141 -0.975 . . . . 0.0 110.664 174.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -127.04 148.75 50.12 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.629 1.572 . . . . 0.0 107.407 -173.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -140.46 151.37 44.8 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.22 1.408 . . . . 0.0 107.644 177.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.6 m -53.27 130.48 14.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-O 121.808 0.813 . . . . 0.0 111.361 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.26 -18.41 57.43 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-O 117.124 -1.931 . . . . 0.0 113.43 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.2 m -60.01 162.88 5.19 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 119.595 1.697 . . . . 0.0 111.081 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.6 t -133.22 129.66 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 105.715 -1.958 . . . . 0.0 105.715 176.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -140.9 175.43 9.62 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 123.567 0.747 . . . . 0.0 109.349 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.9 m -115.16 144.79 43.14 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 177.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.16 -177.86 27.99 Favored Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.262 -1.135 . . . . 0.0 110.262 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -125.58 137.24 53.9 Favored 'General case' 0 CA--C 1.514 -0.408 0 C-N-CA 123.238 0.615 . . . . 0.0 110.125 -179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.8 t -73.99 125.37 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -170.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -105.32 -14.96 15.18 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 124.992 1.317 . . . . 0.0 112.083 -173.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.37 166.24 36.06 Favored Glycine 0 C--N 1.333 0.402 0 CA-C-N 119.685 1.13 . . . . 0.0 110.741 169.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -116.47 152.11 34.71 Favored 'General case' 0 C--O 1.227 -0.123 0 C-N-CA 123.876 0.87 . . . . 0.0 108.775 167.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -141.01 161.2 38.4 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.549 2.34 . . . . 0.0 106.505 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.96 -6.9 2.07 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -127.62 0.72 6.16 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.803 1.641 . . . . 0.0 112.704 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.85 -176.75 39.86 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-N 120.429 1.468 . . . . 0.0 114.742 176.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -121.64 118.22 28.65 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.115 1.766 . . . . 0.0 108.219 -176.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -71.81 141.55 49.67 Favored 'General case' 0 N--CA 1.455 -0.214 0 O-C-N 121.777 -0.577 . . . . 0.0 109.522 172.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 t -138.33 114.14 10.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.23 143.9 52.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.155 0.582 . . . . 0.0 109.786 167.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.0 mt -125.15 -29.15 3.33 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 124.676 1.19 . . . . 0.0 110.579 -168.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -150.73 164.98 34.85 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 126.611 1.964 . . . . 0.0 106.372 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -53.24 -20.8 4.47 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.039 1.336 . . . . 0.0 113.356 176.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -132.73 12.52 4.41 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.873 0.869 . . . . 0.0 111.904 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.6 m -144.52 144.58 31.4 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.644 -1.285 . . . . 0.0 111.226 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -152.6 156.92 40.23 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.73 2.012 . . . . 0.0 107.518 -168.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.53 -174.8 16.08 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 171.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.1 tp -133.03 113.63 13.02 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 -171.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.5 t -70.51 118.19 14.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 165.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -71.34 146.77 48.61 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.456 1.025 . . . . 0.0 110.101 172.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.9 tt -57.4 -39.38 68.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 118.202 -0.904 . . . . 0.0 113.076 -173.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.4 m -67.44 -7.74 27.75 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 120.535 1.516 . . . . 0.0 112.542 178.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -117.41 6.86 12.66 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 126.411 1.884 . . . . 0.0 110.834 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 t -69.97 -27.77 34.01 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 120.156 1.344 . . . . 0.0 112.775 172.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.6 m -150.88 152.24 33.38 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.936 0.789 . . . . 0.0 109.182 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -77.59 50.82 0.85 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.142 1.377 . . . . 0.0 111.872 176.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 174.32 -161.54 31.56 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 109.118 -1.593 . . . . 0.0 109.118 -172.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -55.34 154.27 6.3 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 117.002 0.401 . . . . 0.0 110.574 168.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.3 t -123.94 87.8 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 104.151 -2.537 . . . . 0.0 104.151 167.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -55.52 -43.98 76.23 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 124.911 1.285 . . . . 0.0 111.082 -171.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -156.0 137.28 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 103.89 -2.634 . . . . 0.0 103.89 166.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.5 tt -59.91 -37.25 71.26 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-O 118.305 -0.855 . . . . 0.0 112.74 -171.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -19.27 65.74 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.813 1.188 . . . . 0.0 113.52 176.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -87.19 1.37 53.3 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 118.63 0.65 . . . . 0.0 111.149 174.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -131.26 -22.5 2.5 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 120.478 -1.389 . . . . 0.0 112.649 -173.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.445 HD13 ' H ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -148.15 168.38 22.58 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.139 1.775 . . . . 0.0 107.894 -177.625 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.445 ' H ' HD13 ' A' ' 52' ' ' LEU . 50.6 m -149.42 133.87 17.53 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 123.936 0.894 . . . . 0.0 108.742 -167.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.2 t -68.39 150.82 10.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 169.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.03 29.12 72.43 Favored Glycine 0 CA--C 1.527 0.799 0 CA-C-O 119.223 -0.765 . . . . 0.0 111.762 174.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -121.12 160.67 23.21 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 124.052 0.941 . . . . 0.0 108.537 175.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -99.8 135.49 41.15 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.967 1.307 . . . . 0.0 109.551 176.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.7 m -143.52 146.34 21.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 -173.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -93.66 136.53 33.84 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 122.443 0.297 . . . . 0.0 110.433 166.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.81 145.11 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 126.904 2.082 . . . . 0.0 108.432 -169.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -95.28 132.0 40.75 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 165.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.3 t -64.78 117.12 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.915 0.886 . . . . 0.0 108.907 172.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 66.8 tp -94.65 -38.63 10.74 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.472 1.109 . . . . 0.0 110.87 -178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -153.52 158.43 41.27 Favored 'General case' 0 C--O 1.231 0.108 0 C-N-CA 124.584 1.154 . . . . 0.0 108.561 177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.6 t -136.26 144.14 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 173.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -139.8 69.13 1.36 Allowed 'General case' 0 C--O 1.237 0.423 0 C-N-CA 126.472 1.909 . . . . 0.0 106.865 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -59.71 -20.47 56.58 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.055 1.342 . . . . 0.0 113.198 -176.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -65.58 -21.43 66.59 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.836 0.854 . . . . 0.0 111.527 174.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -122.52 -5.68 8.72 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 124.964 1.306 . . . . 0.0 111.237 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.3 40.2 94.6 Favored Glycine 0 CA--C 1.531 1.035 0 CA-C-N 118.527 0.603 . . . . 0.0 111.62 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -117.51 154.23 31.81 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 118.061 0.93 . . . . 0.0 109.575 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.9 mt -143.68 140.1 25.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 105.609 -1.996 . . . . 0.0 105.609 -177.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.1 m -107.27 151.1 25.91 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 123.831 0.853 . . . . 0.0 108.75 166.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 82.8 mt -137.51 167.96 20.61 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 124.685 1.194 . . . . 0.0 109.926 -167.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.6 m -137.88 148.85 45.74 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.914 0.886 . . . . 0.0 109.454 174.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.7 mm -116.97 -27.04 2.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 126.533 1.933 . . . . 0.0 109.415 170.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -56.7 -29.19 62.16 Favored 'General case' 0 N--CA 1.464 0.268 0 O-C-N 119.703 -1.873 . . . . 0.0 111.568 172.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.78 -31.4 66.57 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 117.301 -1.333 . . . . 0.0 112.73 176.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.1 p -97.96 -44.69 6.57 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 117.839 -1.077 . . . . 0.0 111.076 -170.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -62.25 -37.21 84.57 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.832 0.853 . . . . 0.0 110.16 168.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 51.16 -158.03 0.11 Allowed 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.176 1.79 . . . . 0.0 113.599 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -141.65 164.46 34.51 Favored Pre-proline 0 CA--C 1.541 0.597 0 C-N-CA 127.242 2.217 . . . . 0.0 107.477 175.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.6 -13.7 2.61 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 124.579 3.519 . . . . 0.0 116.997 -174.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -59.99 -20.61 58.61 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.395 1.078 . . . . 0.0 112.947 171.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -144.37 156.7 44.35 Favored 'General case' 0 C--N 1.342 0.244 0 O-C-N 120.995 -1.065 . . . . 0.0 110.639 174.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 156.22 23.49 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.623 163.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -59.71 144.93 46.75 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 122.609 1.195 . . . . 0.0 111.54 175.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.1 m -63.99 166.83 7.0 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.982 -1.074 . . . . 0.0 112.922 177.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -146.72 140.33 15.05 Favored Pre-proline 0 C--O 1.237 0.4 0 CA-C-O 115.802 -2.047 . . . . 0.0 106.293 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -43.23 145.47 1.37 Allowed 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 124.932 3.755 . . . . 0.0 115.659 -173.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -165.42 165.86 18.91 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 125.976 1.71 . . . . 0.0 110.027 -174.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -138.43 142.84 36.19 Favored Pre-proline 0 CA--C 1.534 0.359 0 N-CA-C 106.187 -1.782 . . . . 0.0 106.187 167.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -75.5 30.95 0.37 Allowed 'Trans proline' 0 CA--C 1.545 1.042 0 C-N-CA 123.673 2.916 . . . . 0.0 113.74 -171.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -57.05 -31.27 65.01 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.253 -1.529 . . . . 0.0 112.516 174.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -144.71 160.71 40.78 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 125.41 1.484 . . . . 0.0 109.311 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.48 161.19 4.68 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.331 1.053 . . . . 0.0 111.767 172.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -129.64 148.23 51.51 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.803 1.241 . . . . 0.0 108.94 -172.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.7 m -148.4 174.1 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 125.965 1.706 . . . . 0.0 109.3 -172.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.1 m 64.54 25.6 13.23 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.665 1.186 . . . . 0.0 112.579 176.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -139.66 139.96 36.78 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 125.112 1.365 . . . . 0.0 107.574 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -60.88 -26.78 67.66 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 122.956 0.502 . . . . 0.0 111.857 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.37 -13.29 61.88 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 117.498 -1.239 . . . . 0.0 113.685 175.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.4 m -139.71 -9.99 1.2 Allowed 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.421 1.01 . . . . 0.0 112.591 -167.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.87 163.48 24.49 Favored Pre-proline 0 CA--C 1.537 0.465 0 C-N-CA 124.82 1.248 . . . . 0.0 108.956 -168.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.14 156.87 9.4 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 123.092 2.528 . . . . 0.0 112.351 170.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -67.86 -14.99 63.41 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.316 1.046 . . . . 0.0 113.581 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -170.52 175.16 44.46 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -149.53 174.47 12.48 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.061 1.344 . . . . 0.0 108.999 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -45.57 -38.35 6.38 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.621 1.568 . . . . 0.0 113.751 -177.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.2 m -51.12 -31.45 19.43 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.038 1.335 . . . . 0.0 112.998 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 40.3 tp -61.11 -22.11 64.35 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 176.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -140.59 12.09 2.3 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.986 1.314 . . . . 0.0 112.165 -172.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.71 -27.6 68.45 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.98 0.912 . . . . 0.0 112.042 -174.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.2 mmtp -129.03 170.78 13.06 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.39 1.476 . . . . 0.0 108.558 167.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -134.65 -24.92 1.5 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.136 0.974 . . . . 0.0 111.092 -177.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -56.18 -38.79 71.43 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.184 1.394 . . . . 0.0 112.054 -169.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -70.7 -5.55 30.6 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.1 m-90 -132.67 12.45 4.44 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.169 1.788 . . . . 0.0 111.671 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 15.1 tt -60.27 152.72 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-O 121.858 0.837 . . . . 0.0 111.287 -176.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -70.05 -21.73 63.14 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.382 1.073 . . . . 0.0 113.214 -173.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 62.9 mtt 54.59 28.04 9.35 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.78 1.632 . . . . 0.0 112.46 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.8 m -64.64 -11.44 35.36 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.937 0.895 . . . . 0.0 113.331 -176.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -51.02 -26.51 6.23 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.136 0.974 . . . . 0.0 113.471 169.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 -62.28 -20.64 64.49 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 174.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -58.41 148.19 28.81 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.307 0.958 . . . . 0.0 109.814 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.09 -34.74 73.88 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.916 0.886 . . . . 0.0 112.424 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 66.3 tp -145.29 131.96 19.94 Favored 'General case' 0 C--O 1.241 0.646 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 171.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 19.6 tt -154.0 153.35 8.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 125.989 1.715 . . . . 0.0 107.485 176.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -138.65 161.88 36.04 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.057 1.343 . . . . 0.0 108.293 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt . . . . . 0 C--O 1.245 0.821 0 CA-C-O 115.849 -2.024 . . . . 0.0 109.495 171.031 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.9 ttp . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.36 156.9 17.86 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.347 0.259 . . . . 0.0 110.818 174.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -127.23 170.06 12.84 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.414 1.485 . . . . 0.0 109.831 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 50.6 pttt -134.83 19.39 3.51 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.843 1.257 . . . . 0.0 111.886 -173.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -131.83 163.95 27.14 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 126.715 2.006 . . . . 0.0 106.825 172.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -141.11 156.33 45.99 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.154 0.982 . . . . 0.0 108.693 -171.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.8 m -51.18 133.49 12.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 124.562 1.145 . . . . 0.0 110.816 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.81 -16.12 61.55 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-O 118.545 -1.142 . . . . 0.0 112.944 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -63.51 156.23 26.97 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.026 1.413 . . . . 0.0 109.88 173.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.3 t -121.2 137.97 53.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 172.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -144.35 -175.9 4.82 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 125.883 1.673 . . . . 0.0 108.42 -173.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.6 m -140.39 139.13 35.25 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.419 ' HA3' HD23 ' A' ' 27' ' ' LEU . . . -150.38 -179.18 25.95 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 123.707 0.67 . . . . 0.0 111.705 -175.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -121.01 122.06 39.31 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 -173.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.7 t -66.17 124.56 21.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 -175.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -102.37 -15.24 16.6 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 125.099 1.36 . . . . 0.0 112.999 -174.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.43 169.7 42.29 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-N 119.586 1.085 . . . . 0.0 111.149 173.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.8 mt -127.03 154.52 44.54 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 125.004 1.322 . . . . 0.0 108.243 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -141.71 164.73 29.4 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 127.344 2.258 . . . . 0.0 106.692 177.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -12.04 17.11 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -132.7 10.43 4.33 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.14 0.976 . . . . 0.0 112.74 -176.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.11 178.07 40.81 Favored Glycine 0 C--N 1.338 0.689 0 O-C-N 120.383 -1.448 . . . . 0.0 113.855 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -129.18 132.4 47.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.281 1.432 . . . . 0.0 109.42 -177.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -82.6 145.94 29.42 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 174.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.2 t -138.99 129.95 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 106.865 -1.532 . . . . 0.0 106.865 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.13 139.97 29.93 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 169.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.419 HD23 ' HA3' ' A' ' 13' ' ' GLY . 36.4 mt -122.76 -33.99 3.29 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.146 0.579 . . . . 0.0 110.544 -174.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -161.79 169.49 21.29 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 126.442 1.897 . . . . 0.0 107.829 176.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -54.53 -21.78 11.13 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.999 0.919 . . . . 0.0 112.28 169.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -121.83 17.06 11.02 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.375 1.47 . . . . 0.0 111.473 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 m -150.07 127.39 11.39 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 120.121 -1.612 . . . . 0.0 109.146 -175.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -158.24 144.27 17.14 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 105.969 -1.863 . . . . 0.0 105.969 -173.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.36 -174.08 25.7 Favored Glycine 0 CA--C 1.524 0.616 0 CA-C-N 119.172 0.896 . . . . 0.0 113.928 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.1 tp -131.71 117.17 18.26 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 125.925 1.69 . . . . 0.0 108.602 -171.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.9 t -80.1 124.95 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 168.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -77.85 147.75 35.01 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 170.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.3 tt -54.58 -34.53 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.945 -0.472 . . . . 0.0 111.96 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m -63.25 -8.51 8.53 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.66 1.584 . . . . 0.0 113.129 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -121.35 1.83 10.22 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.141 1.776 . . . . 0.0 111.296 -176.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.2 t -73.2 -36.85 50.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 CA-C-N 119.504 1.047 . . . . 0.0 110.73 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.5 m -151.95 174.36 13.72 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 105.456 -2.053 . . . . 0.0 105.456 176.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -41.86 -42.89 2.84 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.433 1.493 . . . . 0.0 113.693 -170.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 176.36 -32.93 0.08 OUTLIER Glycine 0 CA--C 1.527 0.812 0 C-N-CA 123.551 0.596 . . . . 0.0 112.145 169.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -78.68 42.28 0.44 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.387 1.475 . . . . 0.0 112.501 -175.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.2 t -63.3 106.78 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 175.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -62.41 -46.71 87.33 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -157.93 144.69 17.83 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 126.316 1.847 . . . . 0.0 106.141 169.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.3 tt -57.63 -37.08 56.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 118.691 -0.671 . . . . 0.0 112.338 -175.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -12.02 61.3 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.636 1.107 . . . . 0.0 112.753 -178.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -90.42 -4.56 56.93 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.928 0.786 . . . . 0.0 111.42 173.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -133.9 -10.84 2.66 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.298 1.039 . . . . 0.0 113.147 -169.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 tp -149.77 -179.25 6.97 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.627 1.971 . . . . 0.0 106.499 170.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.6 m -158.57 139.76 13.18 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.245 -0.909 . . . . 0.0 109.234 179.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.35 148.8 11.9 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 168.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.89 32.73 70.08 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.026 -0.874 . . . . 0.0 111.341 177.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -127.37 162.8 25.44 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 175.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -107.46 131.81 53.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.5 m -142.4 145.41 23.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 C-N-CA 124.216 1.006 . . . . 0.0 109.795 -169.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -79.54 142.04 36.1 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 106.933 -1.506 . . . . 0.0 106.933 169.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.07 148.0 27.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 124.643 1.177 . . . . 0.0 110.337 177.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -103.83 130.59 51.41 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 106.454 -1.684 . . . . 0.0 106.454 168.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.7 t -68.57 125.9 27.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.9 tp -111.74 -30.74 7.21 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 124.623 1.169 . . . . 0.0 111.473 -172.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.43 159.35 38.6 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 124.94 1.296 . . . . 0.0 108.234 173.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 57.9 t -134.32 138.75 49.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 173.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -142.81 84.34 1.84 Allowed 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 125.32 1.448 . . . . 0.0 107.41 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -67.14 -24.7 65.93 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.598 0.759 . . . . 0.0 111.693 -175.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -70.2 -42.45 72.32 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.581 0.628 . . . . 0.0 109.382 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -71.22 -24.37 62.19 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 122.875 0.47 . . . . 0.0 110.643 169.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 72.52 39.74 55.73 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.57 -1.012 . . . . 0.0 110.57 -172.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -138.56 165.49 26.75 Favored 'General case' 0 N--CA 1.46 0.062 0 C-N-CA 124.66 1.184 . . . . 0.0 110.137 -171.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 54.0 mt -143.71 136.25 23.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 -175.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.2 m -94.45 143.6 26.27 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 169.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.3 mt -131.45 165.63 23.1 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 124.616 1.167 . . . . 0.0 108.461 -169.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.1 p -143.28 148.34 36.2 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 123.293 0.637 . . . . 0.0 109.516 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.4 mm -112.2 -42.51 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 125.245 1.418 . . . . 0.0 108.1 -178.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -55.99 -24.19 37.29 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.397 0.999 . . . . 0.0 112.871 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.57 -18.53 63.64 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.934 1.294 . . . . 0.0 113.799 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.0 t -147.1 -8.87 0.45 Allowed 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.665 1.121 . . . . 0.0 113.958 -169.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -130.52 155.78 45.91 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.098 1.359 . . . . 0.0 108.41 171.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.32 169.02 24.11 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.993 1.717 . . . . 0.0 108.365 176.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 39.77 60.16 6.5 Favored Pre-proline 0 CA--C 1.548 0.886 0 C-N-CA 125.56 1.544 . . . . 0.0 112.182 -173.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -67.49 170.02 14.51 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.013 2.476 . . . . 0.0 112.886 -170.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -143.54 163.94 31.75 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.759 2.024 . . . . 0.0 106.603 174.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.47 166.47 17.87 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.593 1.157 . . . . 0.0 111.859 -171.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.07 165.82 32.66 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 125.773 1.629 . . . . 0.0 108.968 178.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -149.18 103.16 3.3 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.7 m -63.1 -28.92 70.4 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.82 1.248 . . . . 0.0 113.015 -175.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 59.2 mtmt -61.81 155.44 61.81 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 123.677 0.791 . . . . 0.0 109.911 177.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -64.53 159.91 42.3 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 121.822 1.681 . . . . 0.0 110.523 169.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.1 mmp_? -62.06 168.15 3.45 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.399 1.08 . . . . 0.0 112.023 -176.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -139.78 155.21 71.38 Favored Pre-proline 0 N--CA 1.466 0.357 0 C-N-CA 125.522 1.529 . . . . 0.0 108.46 -176.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -70.89 -17.84 32.13 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.684 2.256 . . . . 0.0 113.051 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -148.07 163.5 36.73 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.46 1.504 . . . . 0.0 108.837 176.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.96 152.05 44.25 Favored 'General case' 0 C--O 1.236 0.371 0 O-C-N 123.289 0.368 . . . . 0.0 110.201 172.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.45 171.27 10.37 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.643 0.777 . . . . 0.0 110.63 169.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -144.43 151.67 39.56 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.192 1.397 . . . . 0.0 107.442 173.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 13.6 p -60.84 -29.5 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 123.826 0.85 . . . . 0.0 112.494 -175.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.3 m -143.55 164.04 31.49 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.302 1.441 . . . . 0.0 108.28 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 36.7 mp0 -79.85 -0.24 33.87 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.693 1.197 . . . . 0.0 112.505 -173.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -57.71 132.05 52.13 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.661 1.184 . . . . 0.0 111.322 -173.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -158.81 157.81 32.31 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.394 1.478 . . . . 0.0 108.965 176.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.2 m -61.94 152.15 32.92 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.644 0.778 . . . . 0.0 110.584 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.2 m -57.97 135.58 83.79 Favored Pre-proline 0 CA--C 1.543 0.682 0 C-N-CA 123.916 0.887 . . . . 0.0 109.332 175.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -68.31 156.5 65.47 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.179 1.92 . . . . 0.0 110.949 176.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -132.61 9.58 4.29 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.991 1.317 . . . . 0.0 111.103 177.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 179.63 170.44 41.36 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 126.648 2.071 . . . . 0.0 108.152 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -144.63 156.38 44.08 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 124.072 0.949 . . . . 0.0 109.31 -176.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -155.14 165.93 35.15 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.096 1.759 . . . . 0.0 107.706 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.8 p -61.87 169.07 2.73 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.081 0.952 . . . . 0.0 109.786 168.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.0 tp -53.31 -37.8 62.59 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.547 -0.721 . . . . 0.0 111.623 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -152.33 175.22 12.9 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 126.1 1.76 . . . . 0.0 107.351 169.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -66.9 127.99 34.63 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 169.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -153.12 131.55 12.13 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.55 120.14 14.11 Favored 'General case' 0 N--CA 1.46 0.05 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 169.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -153.2 177.68 10.57 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 174.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -56.78 -23.11 40.85 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.509 1.124 . . . . 0.0 112.796 -174.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -16.03 11.24 Favored 'General case' 0 C--N 1.343 0.29 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 175.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.5 tt -54.49 -23.35 10.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 119.747 1.158 . . . . 0.0 112.185 171.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.72 -29.39 66.66 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.363 1.065 . . . . 0.0 112.31 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.98 -4.71 1.04 Allowed 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 114.766 1.395 . . . . 0.0 114.766 -172.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 41.8 m -138.77 143.15 38.85 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.233 1.013 . . . . 0.0 109.605 -176.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -158.18 152.6 24.52 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 125.498 1.519 . . . . 0.0 108.129 175.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -145.58 145.96 31.19 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 170.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -143.37 18.89 1.89 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.507 1.123 . . . . 0.0 111.912 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -148.19 160.03 43.35 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 125.544 1.537 . . . . 0.0 107.734 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.31 127.6 32.88 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 118.941 0.791 . . . . 0.0 109.599 -173.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 8.5 tp -57.14 -32.09 39.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 C-N-CA 123.709 0.804 . . . . 0.0 112.636 -174.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -68.03 -23.59 65.0 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt . . . . . 0 C--O 1.247 0.947 0 CA-C-O 117.873 -1.06 . . . . 0.0 108.717 -176.109 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 C--O 1.218 -0.598 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.29 160.74 42.15 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 124.912 1.285 . . . . 0.0 108.528 168.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.0 166.47 32.32 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.505 1.522 . . . . 0.0 109.216 174.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -65.99 -30.0 70.48 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 122.03 -0.419 . . . . 0.0 111.762 176.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -61.19 137.73 58.23 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.634 0.774 . . . . 0.0 110.063 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -152.24 153.44 33.76 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 125.455 1.502 . . . . 0.0 108.345 175.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.1 t -54.36 127.94 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 124.272 1.029 . . . . 0.0 110.214 -173.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.38 -19.61 47.64 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 118.107 -1.385 . . . . 0.0 112.566 178.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -63.77 164.17 10.44 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 118.602 1.201 . . . . 0.0 111.115 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.8 t -138.17 128.49 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -144.17 -176.06 4.86 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 125.102 1.361 . . . . 0.0 109.401 -178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.1 m -125.34 145.81 49.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.49 178.21 33.94 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 -177.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -117.67 136.41 53.35 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 117.46 0.63 . . . . 0.0 110.071 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.8 t -68.57 128.43 31.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.3 p -116.7 -8.51 11.42 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 124.734 1.214 . . . . 0.0 112.525 -172.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.61 165.27 34.88 Favored Glycine 0 C--N 1.334 0.434 0 CA-C-N 119.642 1.11 . . . . 0.0 111.308 169.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -121.36 153.32 37.93 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 124.406 1.082 . . . . 0.0 109.183 169.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -142.65 161.22 38.64 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 127.186 2.194 . . . . 0.0 106.704 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.06 -6.92 4.53 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -129.92 7.31 5.13 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.124 1.37 . . . . 0.0 113.893 -179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.2 177.99 40.25 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-N 119.836 1.198 . . . . 0.0 114.621 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.36 122.21 33.08 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 126.124 1.77 . . . . 0.0 108.585 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -75.65 140.52 42.61 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.2 t -135.26 113.19 15.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 174.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.04 148.42 41.97 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.547 0.739 . . . . 0.0 109.683 173.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 63.7 mt -125.53 -28.67 3.28 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.043 1.337 . . . . 0.0 110.709 -169.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.44 161.2 32.88 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 127.371 2.268 . . . . 0.0 106.416 -178.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.78 -10.58 2.46 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 -174.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -133.48 14.7 4.09 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.422 1.489 . . . . 0.0 111.671 174.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.9 m -138.93 134.04 32.65 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 120.544 -1.347 . . . . 0.0 109.697 -174.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -152.16 156.36 39.65 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.938 1.695 . . . . 0.0 107.759 -175.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.59 178.71 19.14 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.688 -0.965 . . . . 0.0 110.688 170.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.9 tp -128.13 114.43 17.02 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 124.323 1.049 . . . . 0.0 108.585 -171.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.8 t -72.47 121.04 22.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 105.242 -2.133 . . . . 0.0 105.242 166.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -72.74 146.69 46.23 Favored 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 171.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.0 tt -51.96 -37.8 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 O-C-N 121.249 -0.907 . . . . 0.0 112.757 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.6 m -69.1 -1.88 8.8 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.529 1.132 . . . . 0.0 113.458 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -120.88 2.48 10.53 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 126.592 1.957 . . . . 0.0 110.5 -178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.3 t -76.38 -31.26 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 O-C-N 120.677 -1.264 . . . . 0.0 111.042 176.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 53.4 m -153.52 151.92 30.36 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -80.51 39.53 0.47 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.536 1.134 . . . . 0.0 111.72 -175.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 178.54 -166.11 35.74 Favored Glycine 0 CA--C 1.526 0.762 0 C-N-CA 125.528 1.537 . . . . 0.0 109.485 -172.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -57.33 158.31 5.64 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 121.531 0.682 . . . . 0.0 111.554 175.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.4 t -122.88 126.96 74.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 178.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -58.52 -56.37 23.02 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.347 1.059 . . . . 0.0 108.752 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -165.27 142.13 5.71 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 129.595 3.158 . . . . 0.0 103.037 168.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.0 tt -57.19 -32.73 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 CA-C-N 119.655 1.116 . . . . 0.0 113.596 -171.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -16.22 64.0 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.814 1.188 . . . . 0.0 113.623 175.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -87.92 1.57 53.75 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.45 0.7 . . . . 0.0 111.471 175.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -129.12 -26.12 2.65 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.942 1.297 . . . . 0.0 112.781 -177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.6 mt -140.93 165.13 28.38 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.382 1.473 . . . . 0.0 109.665 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 51.1 m -144.61 124.24 13.27 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 124.568 1.147 . . . . 0.0 108.718 -168.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -63.42 143.44 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 172.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.37 30.19 62.92 Favored Glycine 0 CA--C 1.527 0.826 0 CA-C-O 119.235 -0.758 . . . . 0.0 111.809 178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.2 t0 -123.19 160.97 25.42 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 172.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -103.17 136.49 42.86 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 124.556 1.142 . . . . 0.0 109.305 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.2 m -143.86 145.6 21.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 C-N-CA 124.89 1.276 . . . . 0.0 108.558 -171.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -86.74 137.6 32.31 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 108.096 -1.075 . . . . 0.0 108.096 168.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 m -130.58 143.21 41.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 125.962 1.705 . . . . 0.0 109.477 -173.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -95.3 130.99 41.87 Favored 'General case' 0 CA--C 1.523 -0.077 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 168.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.9 t -66.3 122.18 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 171.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.2 tp -109.89 -27.95 9.0 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 124.651 1.18 . . . . 0.0 111.646 -175.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -156.46 160.99 40.07 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.677 1.191 . . . . 0.0 108.971 169.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 60.5 t -135.73 143.35 36.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 168.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -139.22 73.94 1.45 Allowed 'General case' 0 C--O 1.236 0.382 0 C-N-CA 124.774 1.229 . . . . 0.0 108.389 -173.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -58.84 -17.39 23.36 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.072 1.349 . . . . 0.0 113.983 -176.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -63.45 -24.23 67.74 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.543 0.737 . . . . 0.0 111.4 174.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm -127.62 -2.93 6.06 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 125.314 1.446 . . . . 0.0 111.555 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.84 33.44 87.26 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 123.517 0.58 . . . . 0.0 112.119 -174.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -100.98 161.09 13.84 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 117.973 0.887 . . . . 0.0 109.716 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.6 mt -141.01 141.34 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 m -110.41 148.47 31.95 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 169.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 89.6 mt -134.0 167.89 19.79 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 124.262 1.025 . . . . 0.0 109.682 -168.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.2 t -137.0 151.52 49.08 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 124.528 1.131 . . . . 0.0 109.467 172.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.3 mm -123.98 -28.73 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 127.11 2.164 . . . . 0.0 109.715 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -56.66 -29.47 62.34 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 120.857 1.662 . . . . 0.0 111.409 168.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.19 -23.01 64.8 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 174.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.1 p -118.14 -20.0 8.82 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.508 1.049 . . . . 0.0 112.361 -169.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -127.98 46.27 2.6 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.391 1.876 . . . . 0.0 108.354 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.95 -13.7 58.0 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.769 1.228 . . . . 0.0 113.763 -178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.74 151.36 15.39 Favored Pre-proline 0 CA--C 1.541 0.633 0 C-N-CA 124.158 0.983 . . . . 0.0 111.976 177.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -63.68 162.41 28.28 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 123.049 2.5 . . . . 0.0 111.845 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.99 -18.82 65.56 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.151 0.981 . . . . 0.0 112.931 -175.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -146.51 163.1 36.82 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.944 1.697 . . . . 0.0 108.794 176.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -61.7 123.73 18.75 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 170.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -82.93 -13.52 55.89 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 123.774 0.671 . . . . 0.0 111.239 174.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.0 m -57.89 153.24 14.46 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.256 1.422 . . . . 0.0 111.766 176.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -60.49 150.18 74.93 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-O 119.136 -0.459 . . . . 0.0 110.082 171.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.88 166.04 25.9 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 122.55 2.167 . . . . 0.0 111.203 174.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 47.2 ptt85 -61.15 166.27 3.79 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.281 0.563 . . . . 0.0 111.885 170.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -58.54 146.69 72.39 Favored Pre-proline 0 C--O 1.241 0.636 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 168.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -70.33 166.97 26.55 Favored 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 122.754 2.303 . . . . 0.0 111.189 176.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -144.67 149.1 35.1 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.337 1.455 . . . . 0.0 107.752 169.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -147.5 168.7 21.26 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 126.637 1.975 . . . . 0.0 107.719 175.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.83 -43.75 66.22 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.259 0.624 . . . . 0.0 112.519 -171.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.2 pm0 -62.4 -14.98 46.15 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 27.8 m -134.42 18.61 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.542 1.537 . . . . 0.0 111.198 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.8 m -72.13 -37.05 69.55 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 120.96 -1.087 . . . . 0.0 111.926 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -67.61 143.16 56.18 Favored 'General case' 0 CA--C 1.536 0.42 0 O-C-N 123.951 0.782 . . . . 0.0 109.574 169.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -148.91 172.91 13.93 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.999 1.32 . . . . 0.0 110.195 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -141.61 -154.13 0.5 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.815 1.646 . . . . 0.0 109.193 -175.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.8 m -47.05 141.58 4.14 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 125.492 1.517 . . . . 0.0 111.42 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.4 p -64.9 154.59 85.75 Favored Pre-proline 0 CA--C 1.539 0.534 0 C-N-CA 123.963 0.905 . . . . 0.0 111.912 -174.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.58 -38.16 6.34 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 122.247 1.964 . . . . 0.0 110.738 169.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -74.24 163.12 28.22 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 124.174 0.99 . . . . 0.0 109.953 169.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -78.91 28.86 2.14 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.181 0.896 . . . . 0.0 113.944 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -61.97 -46.55 88.77 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.967 1.384 . . . . 0.0 109.993 169.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -57.59 141.4 48.19 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.411 0.685 . . . . 0.0 110.274 168.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.8 p -120.76 -6.51 9.63 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.941 1.297 . . . . 0.0 112.15 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 93.0 mt -68.51 122.66 18.92 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 121.217 -0.927 . . . . 0.0 108.71 174.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -66.63 170.18 6.7 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.307 0.643 . . . . 0.0 111.637 174.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -149.88 162.88 39.45 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.417 1.487 . . . . 0.0 108.659 174.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -59.97 151.54 25.92 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.629 0.771 . . . . 0.0 110.481 177.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 59.8 tp -62.38 141.54 58.27 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.227 -178.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -75.01 50.75 0.48 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.879 1.271 . . . . 0.0 111.829 172.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -139.39 -41.45 0.46 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.701 2.0 . . . . 0.0 108.03 168.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 64.1 t-105 -68.27 -35.77 78.38 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.274 0.63 . . . . 0.0 110.558 168.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 22.6 pt -136.24 -164.83 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.726 2.01 . . . . 0.0 108.847 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -141.75 157.57 44.87 Favored 'General case' 0 C--O 1.243 0.715 0 C-N-CA 126.021 1.728 . . . . 0.0 107.006 167.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 15.2 tpt -148.11 -35.52 0.21 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 118.261 -0.876 . . . . 0.0 112.009 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.5 p -51.28 -51.69 51.86 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.988 1.315 . . . . 0.0 111.808 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -59.31 -47.33 85.81 Favored 'General case' 0 C--O 1.221 -0.397 0 C-N-CA 123.985 0.914 . . . . 0.0 111.573 176.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -62.86 -41.45 99.37 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.448 0.699 . . . . 0.0 110.963 -178.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -74.01 -9.43 58.62 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.591 1.557 . . . . 0.0 112.089 178.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.7 t0 48.51 53.66 11.74 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 123.299 1.524 . . . . 0.0 110.987 -169.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 61.0 tp -132.99 139.11 47.09 Favored 'General case' 0 C--N 1.339 0.116 0 C-N-CA 125.231 1.412 . . . . 0.0 108.708 -176.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.0 tp -148.1 146.6 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 125.712 1.605 . . . . 0.0 107.115 169.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -134.25 21.61 3.73 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.8 0.84 . . . . 0.0 112.053 -170.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 63.4 mtpt . . . . . 0 C--O 1.248 1.02 0 CA-C-O 116.903 -1.522 . . . . 0.0 109.367 171.002 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 tpt . . . . . 0 N--CA 1.47 0.566 0 CA-C-O 118.636 -0.697 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.7 179.12 7.18 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.847 1.259 . . . . 0.0 110.247 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.96 168.03 20.76 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 126.191 1.797 . . . . 0.0 109.731 170.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -129.17 15.4 6.2 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.285 1.034 . . . . 0.0 112.325 -168.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -136.96 170.26 16.41 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.426 1.491 . . . . 0.0 108.697 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -140.02 145.7 38.09 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.491 1.116 . . . . 0.0 108.743 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.8 m -55.17 142.0 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 124.617 1.167 . . . . 0.0 111.674 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 83.86 -12.22 53.93 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-O 117.976 -1.458 . . . . 0.0 113.557 179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.2 m -65.33 165.68 11.33 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 119.059 1.429 . . . . 0.0 110.726 172.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.5 t -139.63 127.11 25.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 106.189 -1.782 . . . . 0.0 106.189 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -140.64 179.97 6.38 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.458 1.103 . . . . 0.0 109.324 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.2 m -121.95 143.54 49.41 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -154.79 -178.97 29.64 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -174.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -121.49 136.49 54.95 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 117.607 0.703 . . . . 0.0 110.215 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.3 t -71.69 126.74 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 -175.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.5 p -115.1 -7.25 12.49 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.877 1.271 . . . . 0.0 112.227 -171.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.35 165.7 37.32 Favored Glycine 0 C--N 1.331 0.304 0 CA-C-N 119.384 0.993 . . . . 0.0 110.734 169.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.2 mt -130.78 148.76 52.6 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 124.871 1.268 . . . . 0.0 107.802 173.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -146.97 158.22 43.86 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 126.521 1.928 . . . . 0.0 106.857 -176.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.64 -3.06 1.97 Allowed 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -130.33 6.12 4.86 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.328 1.451 . . . . 0.0 114.446 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.48 178.11 39.43 Favored Glycine 0 CA--C 1.525 0.67 0 CA-C-N 119.81 1.186 . . . . 0.0 114.532 175.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.68 120.89 29.02 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 126.242 1.817 . . . . 0.0 108.57 -177.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -74.5 141.35 44.89 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 173.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.0 t -137.25 111.55 9.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 176.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.14 142.47 55.74 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.114 0.566 . . . . 0.0 109.692 168.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.5 mt -123.34 -32.58 3.39 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 123.186 0.594 . . . . 0.0 111.296 -167.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.11 162.3 38.0 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 125.371 1.468 . . . . 0.0 107.437 -169.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -57.86 -14.99 7.06 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.895 1.278 . . . . 0.0 113.71 -176.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -129.23 6.05 5.32 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.438 1.495 . . . . 0.0 111.344 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 m -143.8 141.75 30.54 Favored 'General case' 0 C--N 1.345 0.375 0 CA-C-O 123.424 1.583 . . . . 0.0 112.281 -168.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -146.1 156.36 43.39 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 127.14 2.176 . . . . 0.0 107.75 177.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -140.15 -177.08 15.53 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 171.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 52.9 tp -133.07 113.33 12.64 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 124.688 1.195 . . . . 0.0 108.272 -171.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.4 t -70.7 119.34 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 165.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -74.32 149.82 40.45 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.978 1.263 . . . . 0.0 108.171 171.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.2 tt -53.31 -33.9 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 O-C-N 120.957 -1.089 . . . . 0.0 112.831 178.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -64.01 -9.87 18.44 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.249 1.819 . . . . 0.0 113.917 176.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -122.61 0.46 9.34 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 126.017 1.727 . . . . 0.0 110.46 -169.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.1 t -69.59 -38.15 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 O-C-N 120.961 -1.087 . . . . 0.0 111.357 178.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.5 t -155.07 162.25 41.09 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.306 1.042 . . . . 0.0 109.649 177.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -75.63 56.7 0.92 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.144 1.378 . . . . 0.0 110.876 169.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -179.02 179.97 48.81 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 123.643 0.64 . . . . 0.0 111.555 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -60.2 161.42 7.05 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.697 0.76 . . . . 0.0 111.271 169.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.0 t -121.91 113.55 39.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -56.5 -53.46 57.18 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.521 0.729 . . . . 0.0 110.438 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -159.78 139.02 11.05 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 103.826 -2.657 . . . . 0.0 103.826 169.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.6 tt -56.4 -33.15 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 121.082 1.765 . . . . 0.0 113.505 -172.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -12.06 60.03 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 175.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -74.97 -21.24 59.28 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 121.223 -0.923 . . . . 0.0 112.4 168.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -114.68 -25.17 8.39 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.734 0.814 . . . . 0.0 112.845 -169.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.5 mt -140.12 167.01 23.12 Favored 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 126.176 1.791 . . . . 0.0 109.125 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.5 m -142.47 124.31 15.15 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -175.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.1 p -59.28 145.52 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 O-C-N 121.204 -0.935 . . . . 0.0 110.561 167.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.38 32.34 71.84 Favored Glycine 0 CA--C 1.526 0.756 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.107 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -126.87 161.77 27.48 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.95 0.9 . . . . 0.0 108.805 174.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -101.67 135.57 42.98 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 124.643 1.177 . . . . 0.0 109.916 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.9 m -144.24 143.42 23.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 C-N-CA 125.052 1.341 . . . . 0.0 109.083 -172.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -80.51 138.14 36.5 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 166.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 m -132.61 146.32 33.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 126.136 1.774 . . . . 0.0 109.901 -177.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -95.38 134.04 38.64 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 167.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.76 113.67 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 168.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.0 tp -90.15 -41.83 11.41 Favored 'General case' 0 C--O 1.223 -0.296 0 C-N-CA 123.412 0.685 . . . . 0.0 111.164 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.92 166.19 33.27 Favored 'General case' 0 C--N 1.334 -0.106 0 C-N-CA 125.491 1.516 . . . . 0.0 108.777 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.23 147.03 19.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 124.813 1.245 . . . . 0.0 108.783 173.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -135.38 101.97 5.0 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 106.836 -1.542 . . . . 0.0 106.836 168.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -77.56 -12.34 59.95 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -173.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -76.38 -45.06 33.52 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 118.772 0.715 . . . . 0.0 109.288 172.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -67.25 -24.61 65.82 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.673 0.789 . . . . 0.0 110.859 167.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 66.29 43.18 93.4 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 123.614 0.626 . . . . 0.0 111.632 -174.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.8 162.05 34.3 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 118.093 0.947 . . . . 0.0 111.34 -173.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 78.1 mt -133.42 138.4 51.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 -176.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 m -96.28 145.96 25.13 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 166.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.1 mt -132.82 166.33 22.52 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 123.68 0.792 . . . . 0.0 110.096 -170.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 m -135.27 150.3 50.0 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 123.949 0.9 . . . . 0.0 109.889 171.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.5 mm -117.59 -24.73 3.26 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 C-N-CA 125.917 1.687 . . . . 0.0 110.403 171.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -54.45 -27.16 35.39 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.923 1.238 . . . . 0.0 113.297 169.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.77 -19.05 58.05 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 113.763 1.023 . . . . 0.0 113.763 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 56.5 p -122.92 -22.84 5.15 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.229 0.922 . . . . 0.0 112.797 -168.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -142.61 154.48 44.43 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.559 1.544 . . . . 0.0 108.811 -178.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.62 -40.33 84.68 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 121.673 -0.642 . . . . 0.0 110.652 169.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 36.96 59.04 3.8 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 126.751 2.02 . . . . 0.0 113.003 -175.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.75 162.21 43.35 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 122.988 2.459 . . . . 0.0 112.648 -172.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.04 142.69 57.38 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.134 0.974 . . . . 0.0 110.707 170.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -157.3 171.89 19.59 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.587 1.555 . . . . 0.0 109.274 168.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -129.26 91.32 3.16 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 176.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -150.27 -5.82 0.32 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.956 1.302 . . . . 0.0 112.342 -172.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.0 19.38 3.23 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.6 1.56 . . . . 0.0 110.424 -168.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -54.84 155.04 8.59 Favored Pre-proline 0 CA--C 1.536 0.408 0 O-C-N 121.061 -1.024 . . . . 0.0 111.068 167.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -63.27 158.5 44.22 Favored 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 122.221 1.947 . . . . 0.0 110.469 171.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -125.58 1.86 7.58 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.513 0.725 . . . . 0.0 112.826 -169.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt 40.05 61.66 6.17 Favored Pre-proline 0 N--CA 1.471 0.625 0 C-N-CA 125.555 1.542 . . . . 0.0 111.622 -175.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.99 155.45 69.61 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 121.868 1.712 . . . . 0.0 110.4 170.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -65.49 140.14 58.56 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.421 -0.799 . . . . 0.0 109.27 172.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -148.75 145.66 27.72 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 124.47 1.108 . . . . 0.0 108.016 167.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -148.74 164.85 33.17 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 125.147 1.379 . . . . 0.0 109.826 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -61.88 147.77 45.57 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 124.274 0.984 . . . . 0.0 111.123 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 8.2 m -148.68 170.38 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 126.463 1.905 . . . . 0.0 109.717 -175.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.0 m -54.99 137.83 45.15 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.495 -0.753 . . . . 0.0 109.019 167.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -153.47 154.9 35.27 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.187 0.595 . . . . 0.0 109.787 -170.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -137.14 -17.18 1.38 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.04 1.736 . . . . 0.0 111.866 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.68 150.62 43.93 Favored 'General case' 0 C--N 1.341 0.212 0 O-C-N 121.244 -0.91 . . . . 0.0 110.678 169.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.8 m -133.93 158.55 43.2 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 124.743 1.217 . . . . 0.0 110.318 -174.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.8 p -54.53 148.29 25.78 Favored Pre-proline 0 CA--C 1.544 0.727 0 C-N-CA 124.337 1.055 . . . . 0.0 112.063 172.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.42 -25.71 17.88 Favored 'Trans proline' 0 N--CA 1.456 -0.682 0 C-N-CA 122.421 2.081 . . . . 0.0 113.15 -176.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 -60.73 141.08 57.25 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 121.592 -0.693 . . . . 0.0 110.397 177.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 177.61 37.13 0.06 OUTLIER Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -178.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -66.53 -28.5 68.6 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.156 0.982 . . . . 0.0 112.915 -170.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -152.51 159.04 43.34 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.491 1.516 . . . . 0.0 108.419 174.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.4 p -60.02 157.61 12.53 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.745 0.783 . . . . 0.0 111.8 168.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 65.1 tp -149.09 129.15 13.53 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.809 1.244 . . . . 0.0 108.847 178.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -68.05 -44.32 76.65 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 118.844 -0.598 . . . . 0.0 111.043 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -58.56 141.57 51.73 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.887 0.742 . . . . 0.0 111.632 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 25.4 ttmm -147.64 150.45 34.42 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 125.018 1.327 . . . . 0.0 107.885 179.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 66.2 tp -146.51 -43.5 0.19 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.616 1.166 . . . . 0.0 110.105 171.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -153.95 162.91 40.85 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 126.316 1.846 . . . . 0.0 108.18 173.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -147.61 30.53 0.9 Allowed 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 124.282 1.033 . . . . 0.0 111.396 -174.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 9.8 m-90 -130.45 167.07 19.21 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 124.394 1.078 . . . . 0.0 111.3 -174.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 9.8 tp -137.93 135.61 45.41 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 C-N-CA 124.421 1.089 . . . . 0.0 108.99 172.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -160.31 177.49 10.57 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 126.477 1.911 . . . . 0.0 108.378 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 78.1 mtm -140.45 161.87 36.68 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 124.227 1.011 . . . . 0.0 109.829 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.3 m -140.29 158.59 43.8 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.262 1.825 . . . . 0.0 108.624 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -156.48 126.27 6.35 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 124.108 0.963 . . . . 0.0 110.326 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.94 123.89 18.89 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 167.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.8 pttt -61.24 168.51 2.57 Favored 'General case' 0 C--O 1.231 0.103 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 175.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -56.91 172.07 0.3 Allowed 'General case' 0 C--O 1.241 0.647 0 C-N-CA 124.069 0.948 . . . . 0.0 111.25 166.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.99 -0.48 2.38 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 115.624 1.713 . . . . 0.0 115.624 174.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 18.5 tt -53.21 140.99 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 C-N-CA 126.034 1.734 . . . . 0.0 112.159 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -72.57 -20.24 61.35 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 60.6 mttp . . . . . 0 C--O 1.245 0.853 0 CA-C-O 117.142 -1.409 . . . . 0.0 110.035 178.245 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 mpp? . . . . . 0 N--CA 1.472 0.628 0 CA-C-O 117.142 -1.408 . . . . 0.0 107.522 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.29 166.21 27.77 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 125.062 1.345 . . . . 0.0 109.151 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.96 173.25 11.71 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 126.47 1.908 . . . . 0.0 109.884 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -130.64 17.12 5.3 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.556 1.142 . . . . 0.0 111.143 -171.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -139.74 164.36 30.15 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 125.672 1.589 . . . . 0.0 108.715 -172.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -140.23 148.53 41.64 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 125.345 1.458 . . . . 0.0 107.867 -178.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 23.1 m -54.89 140.62 12.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 124.595 1.158 . . . . 0.0 112.538 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.9 -21.95 27.81 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 117.261 -1.855 . . . . 0.0 112.969 177.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 m -63.19 164.58 8.47 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 118.798 1.299 . . . . 0.0 110.955 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.9 t -138.94 129.63 33.62 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.176 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -178.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -140.93 -175.28 4.25 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.933 1.293 . . . . 0.0 109.576 177.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -120.51 146.15 46.57 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.32 -176.0 24.51 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 124.966 1.27 . . . . 0.0 110.16 -177.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -125.97 135.08 51.42 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 117.864 0.832 . . . . 0.0 110.372 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.2 t -70.85 126.89 32.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 -174.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -111.66 -11.83 13.96 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.948 1.299 . . . . 0.0 112.21 -173.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.75 166.0 35.46 Favored Glycine 0 C--N 1.334 0.44 0 O-C-N 120.957 -1.089 . . . . 0.0 110.899 168.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.6 mt -118.93 151.06 38.83 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 123.994 0.918 . . . . 0.0 108.851 167.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -141.89 160.43 40.22 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 127.35 2.26 . . . . 0.0 106.429 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -7.53 4.12 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 177.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -120.28 -2.64 10.07 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.649 1.58 . . . . 0.0 113.499 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 163.95 -178.05 39.51 Favored Glycine 0 C--N 1.339 0.721 0 CA-C-N 120.181 1.355 . . . . 0.0 114.326 -178.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -122.87 120.01 32.2 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 126.504 1.922 . . . . 0.0 108.357 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -71.38 137.73 48.61 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 170.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 38.6 t -135.01 110.69 12.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.89 142.28 57.96 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.321 0.581 . . . . 0.0 110.21 168.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.6 mt -120.65 -30.39 4.5 Favored 'General case' 0 C--O 1.224 -0.266 0 C-N-CA 124.537 1.135 . . . . 0.0 110.338 -168.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -153.69 171.19 19.22 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 125.875 1.67 . . . . 0.0 107.133 177.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -60.05 -11.79 6.71 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.856 1.662 . . . . 0.0 113.109 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -137.46 14.17 2.98 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.057 1.343 . . . . 0.0 112.601 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.7 m -148.32 143.35 26.84 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 121.243 -0.911 . . . . 0.0 111.339 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -148.89 156.22 41.99 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 126.453 1.901 . . . . 0.0 108.273 -177.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -138.55 -178.65 16.44 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 170.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 50.0 tp -130.47 103.52 6.71 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 -169.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.9 t -60.34 115.13 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 163.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -71.84 146.46 47.95 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.212 0.915 . . . . 0.0 108.698 172.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 21.5 tt -52.84 -36.76 24.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 O-C-N 120.95 -1.094 . . . . 0.0 112.947 -172.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -66.39 -8.05 23.12 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.858 1.263 . . . . 0.0 113.798 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -115.52 2.79 13.91 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.95 1.7 . . . . 0.0 111.361 -175.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.9 t -73.28 -38.45 54.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 CA-C-O 118.445 -0.788 . . . . 0.0 111.256 -178.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.3 m -156.7 155.5 31.8 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 177.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -69.45 -40.9 76.88 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 120.735 -1.228 . . . . 0.0 112.653 177.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.04 153.4 38.54 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 169.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -59.19 120.94 10.14 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.197 0.599 . . . . 0.0 110.539 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.1 t -82.07 69.91 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 125.351 1.461 . . . . 0.0 107.931 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -58.26 -30.76 66.83 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -179.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -148.33 128.53 13.76 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 166.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.9 tt -64.72 -33.52 63.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -174.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.12 -16.56 64.4 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 176.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -82.06 -5.06 58.1 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.008 0.822 . . . . 0.0 111.623 170.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -129.5 -10.24 4.57 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 121.006 -1.059 . . . . 0.0 113.659 -169.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.9 tp -156.35 175.63 13.75 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 125.42 1.488 . . . . 0.0 109.426 167.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.1 m -144.21 132.12 21.48 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.824 0.85 . . . . 0.0 109.074 -172.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.9 t -64.88 148.71 11.8 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 170.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.28 29.0 72.08 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-O 118.719 -1.045 . . . . 0.0 111.78 175.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -122.38 158.83 28.8 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 108.328 -0.989 . . . . 0.0 108.328 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -96.94 134.92 39.66 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.777 1.231 . . . . 0.0 110.346 176.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.0 m -142.47 143.31 26.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 C-N-CA 124.427 1.091 . . . . 0.0 108.905 -169.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.37 141.55 41.47 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 165.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -138.61 133.17 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 124.727 1.211 . . . . 0.0 109.619 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -86.88 132.95 33.67 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 166.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.2 t -66.35 117.11 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 167.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 53.3 tp -101.06 -34.38 9.76 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 123.62 0.768 . . . . 0.0 111.371 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -155.43 162.25 40.8 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 124.749 1.22 . . . . 0.0 108.926 173.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.3 p -147.17 143.67 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.809 1.243 . . . . 0.0 107.961 166.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -143.53 104.99 4.29 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 125.308 1.443 . . . . 0.0 107.358 176.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -77.47 -20.85 53.77 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 123.831 0.852 . . . . 0.0 112.849 -175.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.38 -42.13 59.8 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.807 0.73 . . . . 0.0 110.31 173.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -71.49 -21.46 61.93 Favored 'General case' 0 C--O 1.24 0.6 0 O-C-N 121.289 -0.882 . . . . 0.0 111.487 168.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.58 53.23 40.05 Favored Glycine 0 CA--C 1.524 0.643 0 CA-C-O 119.038 -0.868 . . . . 0.0 111.619 -173.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -142.04 158.87 43.25 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.644 1.178 . . . . 0.0 110.306 -172.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 69.5 mt -138.58 136.23 43.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 104.532 -2.396 . . . . 0.0 104.532 173.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 m -106.35 147.35 29.33 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 170.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.6 mt -133.86 166.71 22.04 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.782 0.833 . . . . 0.0 109.976 -168.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.3 t -133.45 146.01 50.77 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 168.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.7 mm -104.4 -45.82 9.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 C-N-CA 126.449 1.9 . . . . 0.0 108.082 174.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -57.29 -27.63 62.3 Favored 'General case' 0 C--O 1.221 -0.41 0 C-N-CA 123.908 0.883 . . . . 0.0 112.613 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.34 -10.41 54.73 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 117.493 -1.241 . . . . 0.0 114.268 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.0 t -146.56 -26.03 0.42 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 120.506 1.503 . . . . 0.0 113.134 -168.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -141.44 -164.18 1.71 Allowed 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.527 -1.358 . . . . 0.0 109.427 169.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -130.43 -169.95 2.24 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.488 1.115 . . . . 0.0 109.61 167.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.66 147.2 15.6 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 123.197 0.599 . . . . 0.0 111.367 169.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.32 -36.29 98.92 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 123.154 2.569 . . . . 0.0 113.624 173.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 53.14 23.11 2.88 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.351 1.461 . . . . 0.0 113.163 -176.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -63.23 145.19 56.04 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 120.82 -1.175 . . . . 0.0 109.631 171.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -133.83 -171.32 2.7 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 125.051 1.34 . . . . 0.0 108.123 166.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.8 mp0 -58.07 133.11 55.27 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 122.23 1.014 . . . . 0.0 109.639 170.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.9 m -70.86 -22.67 62.27 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.455 -1.403 . . . . 0.0 112.487 -177.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -142.51 161.77 48.09 Favored Pre-proline 0 CA--C 1.538 0.5 0 C-N-CA 126.193 1.797 . . . . 0.0 108.169 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -61.47 161.3 24.46 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 122.635 2.223 . . . . 0.0 111.624 176.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -54.87 135.22 48.22 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.338 1.055 . . . . 0.0 110.791 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -152.31 148.2 20.74 Favored Pre-proline 0 CA--C 1.539 0.53 0 C-N-CA 126.614 1.966 . . . . 0.0 106.153 174.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -51.83 -38.81 68.37 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.151 2.568 . . . . 0.0 114.062 -177.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -139.38 141.08 37.59 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 167.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -160.14 163.41 33.76 Favored 'General case' 0 C--O 1.225 -0.184 0 C-N-CA 125.305 1.442 . . . . 0.0 109.366 173.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -150.08 157.03 42.71 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 126.462 1.905 . . . . 0.0 107.542 168.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -77.53 23.71 0.22 Allowed 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 32.8 m -71.9 14.62 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 126.466 1.906 . . . . 0.0 114.077 176.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.1 m -49.33 134.66 18.34 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.64 1.576 . . . . 0.0 112.542 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -62.18 -29.18 70.19 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.006 0.923 . . . . 0.0 111.515 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -66.17 -21.66 66.33 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.126 0.971 . . . . 0.0 112.124 176.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 49.97 32.61 5.81 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.911 1.685 . . . . 0.0 113.552 178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.9 m -53.68 146.85 12.53 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 125.631 1.573 . . . . 0.0 111.117 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.0 p -58.59 148.5 66.11 Favored Pre-proline 0 CA--C 1.548 0.868 0 C-N-CA 122.541 0.336 . . . . 0.0 111.589 171.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -71.16 168.49 23.14 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 121.966 1.777 . . . . 0.0 109.608 168.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.82 160.63 29.77 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.921 -0.487 . . . . 0.0 111.448 164.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.8 -38.5 3.21 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 124.12 0.867 . . . . 0.0 112.171 168.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -146.84 157.97 43.8 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.437 -1.037 . . . . 0.0 111.012 175.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -86.06 149.42 25.16 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 123.754 0.822 . . . . 0.0 110.824 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.5 p -131.0 -10.54 3.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.7 1.6 . . . . 0.0 112.76 170.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 46.1 tp -62.61 144.52 56.12 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.134 -0.979 . . . . 0.0 109.681 166.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.63 -50.75 70.0 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.617 0.367 . . . . 0.0 110.565 175.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -67.75 157.3 35.0 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 123.461 0.704 . . . . 0.0 111.456 169.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -60.7 116.66 4.56 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 121.493 -0.754 . . . . 0.0 110.105 174.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 59.4 tp -59.57 152.33 22.35 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 122.812 0.445 . . . . 0.0 110.24 165.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -135.81 150.98 49.63 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.428 1.491 . . . . 0.0 107.065 166.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -72.48 12.38 0.48 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.59 1.556 . . . . 0.0 112.319 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -134.67 16.56 3.62 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.438 1.895 . . . . 0.0 111.568 -169.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 41.7 pt -122.57 154.51 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 124.453 1.101 . . . . 0.0 109.697 167.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -60.43 -26.91 67.07 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.844 1.257 . . . . 0.0 112.088 -169.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 13.4 tpt -53.77 -35.09 60.93 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.953 0.901 . . . . 0.0 112.369 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 84.5 p -61.05 -27.28 68.22 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 65.8 t30 46.66 31.35 1.37 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.807 1.643 . . . . 0.0 112.833 -169.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.9 ttp85 -62.17 152.79 32.17 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 120.569 -1.332 . . . . 0.0 110.16 173.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -57.11 155.47 8.4 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.711 0.804 . . . . 0.0 111.455 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -61.02 -27.58 68.43 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 114.833 -1.076 . . . . 0.0 112.249 175.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 33.3 tp -69.68 66.93 0.23 Allowed 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.633 -1.292 . . . . 0.0 111.542 166.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -13.24 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 125.49 1.516 . . . . 0.0 114.699 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -53.5 -37.3 62.6 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.943 0.792 . . . . 0.0 112.689 165.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.3 tpmt? . . . . . 0 C--O 1.245 0.827 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.029 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.3 ttp . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.36 166.8 24.07 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.293 1.437 . . . . 0.0 109.538 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.56 153.04 20.61 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.197 0.599 . . . . 0.0 111.511 173.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -70.64 -32.52 69.85 Favored 'General case' 0 C--O 1.22 -0.449 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 56.77 162.14 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.926 1.691 . . . . 0.0 111.997 -164.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -157.57 149.9 22.63 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.0 m -51.48 135.92 11.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 124.571 1.148 . . . . 0.0 111.997 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.95 -9.68 59.57 Favored Glycine 0 CA--C 1.53 0.983 0 CA-C-O 117.832 -1.538 . . . . 0.0 113.878 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -65.1 163.18 15.41 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 119.597 1.699 . . . . 0.0 110.591 167.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.4 t -138.77 128.88 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -141.16 -175.2 4.24 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.997 1.319 . . . . 0.0 108.88 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 34.7 m -120.48 147.75 44.71 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.844 0.858 . . . . 0.0 108.821 175.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -152.6 -177.96 26.76 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 124.848 1.213 . . . . 0.0 110.168 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -121.52 136.57 54.94 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 117.598 0.699 . . . . 0.0 110.464 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.3 t -70.27 125.49 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -177.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -112.23 -9.24 13.92 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 125.228 1.411 . . . . 0.0 112.004 -171.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -175.74 169.35 42.04 Favored Glycine 0 C--N 1.333 0.404 0 N-CA-C 110.644 -0.982 . . . . 0.0 110.644 169.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.4 mt -123.27 159.14 29.39 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 125.064 1.345 . . . . 0.0 108.278 170.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -148.13 159.74 43.62 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 126.25 1.82 . . . . 0.0 106.824 173.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.76 -5.82 1.03 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -131.48 5.1 4.35 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.686 -1.259 . . . . 0.0 114.395 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.69 178.74 39.44 Favored Glycine 0 CA--C 1.524 0.656 0 CA-C-N 119.878 1.217 . . . . 0.0 112.712 177.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -128.03 140.62 51.86 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.931 0.892 . . . . 0.0 109.748 -178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -85.27 139.93 31.23 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.8 t -134.93 118.82 25.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 174.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.48 148.85 27.9 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.536 0.735 . . . . 0.0 110.84 171.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 40.4 mt -119.15 -30.27 5.01 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 125.636 1.574 . . . . 0.0 110.693 -174.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -157.84 162.99 38.43 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 126.733 2.013 . . . . 0.0 107.042 -178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -50.57 -21.71 1.66 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.566 1.146 . . . . 0.0 114.028 170.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -122.43 4.67 9.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.704 1.201 . . . . 0.0 111.957 -177.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 m -140.75 130.65 24.49 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 119.804 1.184 . . . . 0.0 109.952 -175.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -159.79 150.84 19.43 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.443 1.497 . . . . 0.0 108.272 -172.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.03 -173.86 20.09 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 -175.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.8 tp -135.02 127.43 30.43 Favored 'General case' 0 C--O 1.226 -0.15 0 C-N-CA 125.831 1.652 . . . . 0.0 108.05 -168.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 p -99.65 125.53 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 166.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -70.11 150.41 46.58 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 175.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.7 tt -52.97 -36.54 24.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 124.103 0.961 . . . . 0.0 113.13 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 p -64.44 -23.32 67.24 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 175.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -98.91 2.36 46.47 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.086 1.354 . . . . 0.0 111.641 -178.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.0 t -71.19 -32.21 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.82 176.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 74.2 m -155.48 154.05 31.24 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 -175.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -78.07 36.96 0.24 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.879 1.672 . . . . 0.0 112.639 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -168.91 -175.23 38.16 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 -176.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -63.06 147.71 49.94 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-N 117.346 0.573 . . . . 0.0 110.694 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.3 t -129.71 78.58 0.57 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 N-CA-C 105.407 -2.071 . . . . 0.0 105.407 -178.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -57.43 -30.1 64.71 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 117.621 -1.18 . . . . 0.0 113.673 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -149.75 136.14 19.08 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 124.42 1.075 . . . . 0.0 108.367 166.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.4 tt -62.4 -35.64 70.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 117.744 -1.122 . . . . 0.0 113.279 -178.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.55 -16.88 64.42 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 120.165 1.348 . . . . 0.0 113.325 -178.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -78.99 -12.22 60.03 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.222 -0.924 . . . . 0.0 112.606 171.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -128.58 -16.75 4.24 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.412 1.085 . . . . 0.0 113.111 -167.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 53' ' ' SER . 4.3 tp -146.25 175.03 10.82 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.433 1.493 . . . . 0.0 109.109 169.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.421 ' H ' ' HG ' ' A' ' 52' ' ' LEU . 49.3 m -150.06 125.56 10.25 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.734 1.213 . . . . 0.0 107.943 -170.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -61.34 148.3 9.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 O-C-N 121.218 -0.926 . . . . 0.0 110.741 165.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 70.49 32.26 67.94 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 118.911 -0.938 . . . . 0.0 112.001 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -127.15 161.86 27.49 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.821 0.848 . . . . 0.0 109.001 174.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -103.93 133.97 48.01 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.22 1.408 . . . . 0.0 109.552 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.3 m -144.91 141.97 23.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 C-N-CA 124.063 0.945 . . . . 0.0 109.217 -170.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -70.96 139.94 50.77 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 164.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -132.62 134.29 58.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 125.892 1.677 . . . . 0.0 109.205 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -88.59 131.31 35.01 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 166.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.95 115.46 2.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 123.626 0.771 . . . . 0.0 109.012 169.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.4 tp -91.61 -38.84 12.22 Favored 'General case' 0 C--O 1.226 -0.173 0 C-N-CA 124.119 0.968 . . . . 0.0 111.235 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -154.63 158.49 39.77 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 124.947 1.299 . . . . 0.0 108.958 178.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.9 t -137.78 138.1 44.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 170.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -144.71 96.04 2.8 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -74.2 -14.46 60.94 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.718 0.807 . . . . 0.0 112.471 -176.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -76.31 -45.33 32.89 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 119.453 1.024 . . . . 0.0 109.195 174.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -68.2 -26.18 65.59 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 118.125 -0.941 . . . . 0.0 111.392 169.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.5 45.46 59.76 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 124.021 0.819 . . . . 0.0 111.213 -169.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -133.8 158.83 42.36 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 121.299 -1.118 . . . . 0.0 110.538 -173.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.2 mt -135.53 138.98 47.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 171.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.0 m -107.38 151.21 25.82 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 167.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.4 mt -135.49 168.73 18.68 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 125.302 1.441 . . . . 0.0 108.307 -167.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.9 p -146.13 154.62 42.0 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.327 -0.858 . . . . 0.0 109.991 175.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.1 mm -125.01 -27.9 1.43 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.232 0 C-N-CA 125.567 1.547 . . . . 0.0 110.358 -176.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -57.65 -23.17 49.93 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 120.442 1.473 . . . . 0.0 112.582 169.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.61 -18.79 59.59 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.675 1.19 . . . . 0.0 114.183 173.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.0 p -123.74 -23.89 4.61 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.708 1.14 . . . . 0.0 112.309 -167.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -135.84 175.4 9.63 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.351 1.861 . . . . 0.0 108.932 -178.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -132.61 160.45 36.61 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.686 1.194 . . . . 0.0 111.228 -173.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.1 150.74 49.85 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 123.496 0.718 . . . . 0.0 111.634 173.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -66.98 162.74 36.7 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.219 1.946 . . . . 0.0 110.634 171.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -70.23 -21.01 63.05 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.133 0.573 . . . . 0.0 112.09 -176.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -151.06 155.88 39.91 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.547 1.539 . . . . 0.0 107.864 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -131.1 171.61 13.06 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.013 1.325 . . . . 0.0 107.68 169.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -135.82 157.73 46.15 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 176.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.7 m -60.87 -54.63 42.68 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 123.663 0.785 . . . . 0.0 110.749 -174.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.3 tttm -77.33 145.5 72.57 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 124.896 1.279 . . . . 0.0 109.39 171.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -51.47 153.47 10.33 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 123.023 2.482 . . . . 0.0 112.79 168.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.3 ptp85 -75.22 -14.63 60.54 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -172.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -59.27 147.32 75.93 Favored Pre-proline 0 CA--C 1.538 0.511 0 O-C-N 121.025 -1.047 . . . . 0.0 109.549 175.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -63.76 -23.67 69.09 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 122.717 2.278 . . . . 0.0 114.059 -169.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -133.4 19.15 3.97 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.476 1.111 . . . . 0.0 112.66 176.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . 50.35 26.96 2.49 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.278 1.431 . . . . 0.0 114.007 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.19 55.89 1.58 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.244 1.018 . . . . 0.0 111.197 176.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -61.69 172.25 1.32 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.713 1.205 . . . . 0.0 113.342 176.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 16.9 m -124.19 149.79 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 125.906 1.683 . . . . 0.0 107.535 166.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.6 m -131.96 -24.89 2.1 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.166 0.586 . . . . 0.0 111.793 -171.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 42.0 mp0 -142.08 -49.88 0.38 Allowed 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 126.941 2.096 . . . . 0.0 105.474 166.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -136.97 -150.97 0.38 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 129.382 3.073 . . . . 0.0 103.986 165.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.78 36.19 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.868 0 O-C-N 120.545 -1.347 . . . . 0.0 112.679 164.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.1 p -54.51 -50.75 67.09 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.906 1.682 . . . . 0.0 111.075 173.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.3 p -72.28 129.07 88.03 Favored Pre-proline 0 CA--C 1.539 0.538 0 C-N-CA 123.563 0.745 . . . . 0.0 109.699 165.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -70.38 -43.08 2.32 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 121.397 1.398 . . . . 0.0 110.146 169.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -144.7 168.86 19.18 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.802 2.041 . . . . 0.0 107.757 170.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.62 -176.93 34.01 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.123 0.868 . . . . 0.0 112.608 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -145.89 177.64 8.78 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.009 1.724 . . . . 0.0 108.944 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -131.69 127.02 36.02 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 124.0 0.92 . . . . 0.0 109.677 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.3 p -73.92 -47.84 34.97 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.535 1.134 . . . . 0.0 111.848 176.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 60.5 tp -156.92 144.13 18.78 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 125.897 1.679 . . . . 0.0 108.038 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -58.15 137.52 56.92 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.681 0.792 . . . . 0.0 109.66 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -62.41 -32.92 73.83 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.525 0.73 . . . . 0.0 112.484 -176.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -143.34 127.04 17.06 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 173.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 64.6 tp -61.87 126.26 26.72 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 123.212 0.605 . . . . 0.0 110.116 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -146.91 171.19 15.6 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.111 1.764 . . . . 0.0 106.896 169.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -125.46 -9.74 6.88 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.29 0.636 . . . . 0.0 111.814 -175.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -68.34 168.94 11.51 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 120.78 -1.2 . . . . 0.0 112.293 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 34.0 pt -64.47 -26.33 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-O 117.413 -1.279 . . . . 0.0 112.848 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 69.41 -34.36 0.28 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 127.902 2.481 . . . . 0.0 113.609 173.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 64.3 ttp -151.61 146.79 26.09 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.002 1.721 . . . . 0.0 106.717 172.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.0 m -60.05 -18.04 43.64 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.504 1.121 . . . . 0.0 114.006 -172.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -138.18 32.33 2.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.773 1.229 . . . . 0.0 111.499 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -54.69 141.46 32.14 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.194 -1.566 . . . . 0.0 109.448 167.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -53.96 140.18 31.88 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 169.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -79.5 49.98 1.07 Allowed 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 122.891 1.329 . . . . 0.0 110.666 171.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 54.2 tp -60.29 137.03 58.2 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 120.321 -1.487 . . . . 0.0 110.748 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 2.0 pp -138.55 172.05 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 126.023 1.729 . . . . 0.0 109.128 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -70.6 73.71 0.55 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.15 0.98 . . . . 0.0 110.667 173.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 60.1 tptt . . . . . 0 C--O 1.252 1.236 0 CA-C-O 116.554 -1.688 . . . . 0.0 109.358 172.713 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp . . . . . 0 N--CA 1.468 0.455 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.09 -17.91 64.51 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.135 0.974 . . . . 0.0 112.393 173.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -143.91 172.38 12.93 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.269 1.828 . . . . 0.0 109.249 175.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -62.45 -24.73 67.59 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -67.19 141.64 57.27 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 123.907 0.883 . . . . 0.0 110.309 -174.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -148.9 154.89 40.09 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.685 1.594 . . . . 0.0 107.315 170.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.1 m -48.57 132.92 6.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 124.824 1.249 . . . . 0.0 111.862 -179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.97 -15.75 58.63 Favored Glycine 0 CA--C 1.529 0.918 0 CA-C-O 117.69 -1.617 . . . . 0.0 113.545 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -63.73 165.46 8.37 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 119.155 1.477 . . . . 0.0 111.075 177.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -139.41 125.9 23.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -145.05 -175.69 4.79 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 125.069 1.348 . . . . 0.0 109.426 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.5 m -122.21 147.7 45.86 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.743 0.817 . . . . 0.0 109.156 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.67 -177.67 30.03 Favored Glycine 0 CA--C 1.525 0.662 0 C-N-CA 125.361 1.458 . . . . 0.0 110.295 -174.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -126.73 134.2 50.71 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-N 117.865 0.833 . . . . 0.0 110.138 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.4 t -71.67 124.27 27.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -174.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.4 p -107.24 -12.75 15.3 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 124.762 1.225 . . . . 0.0 112.647 -174.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -174.57 164.1 34.89 Favored Glycine 0 C--N 1.334 0.425 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 170.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.0 mt -131.35 149.4 52.56 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 125.005 1.322 . . . . 0.0 108.036 175.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -154.93 157.46 37.78 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 -170.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.07 -19.61 13.72 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 175.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -106.73 -13.21 15.33 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 124.459 1.104 . . . . 0.0 112.785 -176.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.22 174.19 28.62 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 119.653 1.115 . . . . 0.0 114.287 -176.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -115.3 127.69 55.62 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 126.063 1.745 . . . . 0.0 109.32 -173.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -78.04 142.62 38.08 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 170.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.11 119.49 12.34 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.71 145.63 51.77 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.188 1.395 . . . . 0.0 111.009 169.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.4 mt -135.66 -46.99 0.68 Allowed 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 125.461 1.504 . . . . 0.0 107.262 170.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -157.25 153.32 27.33 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 128.956 2.903 . . . . 0.0 104.958 168.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.74 -8.82 7.44 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 116.148 1.907 . . . . 0.0 116.148 -171.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -122.09 11.18 10.18 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.142 1.377 . . . . 0.0 111.063 173.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.6 m -137.68 -3.37 1.87 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.509 1.124 . . . . 0.0 111.451 -169.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.22 161.11 0.45 Allowed 'General case' 0 C--O 1.232 0.179 0 O-C-N 120.783 -1.198 . . . . 0.0 112.453 174.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -141.25 -175.95 15.24 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-O 121.557 0.532 . . . . 0.0 112.78 -174.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 40.6 tp -133.99 116.17 15.22 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 125.318 1.447 . . . . 0.0 108.049 -171.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.0 t -79.92 118.62 27.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 166.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.5 t60 -72.36 146.54 47.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 120.133 1.333 . . . . 0.0 108.356 170.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.3 tt -53.96 -38.44 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 118.453 -0.784 . . . . 0.0 113.055 -176.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.9 m -69.41 -1.06 7.41 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 176.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -119.5 0.88 11.13 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 126.453 1.901 . . . . 0.0 110.167 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.4 t -77.26 -36.15 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 120.353 -1.467 . . . . 0.0 110.958 170.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 51.6 m -154.52 159.37 40.91 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.514 2.326 . . . . 0.0 105.178 172.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -60.63 -16.98 44.21 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -170.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 168.88 -32.23 0.18 Allowed Glycine 0 CA--C 1.524 0.621 0 CA-C-N 119.059 0.845 . . . . 0.0 112.059 170.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -75.42 34.12 0.11 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.737 1.615 . . . . 0.0 113.596 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.2 t -57.11 111.88 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 O-C-N 120.947 -1.095 . . . . 0.0 108.759 167.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -60.06 -53.83 53.15 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 170.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -160.31 144.37 14.15 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 167.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.9 tt -54.63 -33.32 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 O-C-N 121.23 -0.919 . . . . 0.0 111.772 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -73.15 -8.49 55.99 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 124.482 1.113 . . . . 0.0 112.901 178.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -98.3 -35.46 10.32 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.251 0.932 . . . . 0.0 110.472 169.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -83.15 -14.05 54.32 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.384 -0.822 . . . . 0.0 113.063 -177.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt -147.17 170.69 16.68 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.422 2.289 . . . . 0.0 108.823 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.7 m -141.22 133.57 28.19 Favored 'General case' 0 C--O 1.225 -0.227 0 C-N-CA 125.072 1.349 . . . . 0.0 108.364 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.7 p -64.69 149.67 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 O-C-N 121.746 -0.596 . . . . 0.0 109.873 168.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.3 33.06 83.88 Favored Glycine 0 CA--C 1.529 0.914 0 CA-C-O 119.2 -0.778 . . . . 0.0 111.704 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -124.87 161.49 26.45 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 123.978 0.911 . . . . 0.0 108.551 175.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -102.81 133.5 47.77 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.632 1.173 . . . . 0.0 108.722 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.6 m -143.02 142.83 25.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 C-N-CA 124.366 1.066 . . . . 0.0 109.114 -170.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -79.63 135.4 36.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 167.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.2 m -126.18 147.66 30.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 C-N-CA 125.989 1.715 . . . . 0.0 109.244 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.8 tttp -99.16 130.98 45.51 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 167.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.59 117.4 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 170.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.0 tp -98.16 -35.65 10.31 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.558 0.743 . . . . 0.0 111.188 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.26 164.15 38.0 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.2 1.4 . . . . 0.0 108.903 173.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.9 t -134.0 142.0 42.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 174.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -135.04 82.65 1.97 Allowed 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 175.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -64.81 -28.16 69.38 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.045 0.938 . . . . 0.0 111.909 -175.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -68.03 -42.01 81.25 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.396 0.544 . . . . 0.0 110.276 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -73.51 -24.14 60.12 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 118.499 -0.762 . . . . 0.0 111.664 171.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.7 43.4 67.66 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -169.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -133.25 162.36 31.99 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.988 1.315 . . . . 0.0 110.24 -177.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.8 mt -138.72 130.45 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 m -90.08 143.61 26.62 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 168.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.2 mt -129.49 163.82 25.08 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 123.696 0.798 . . . . 0.0 109.302 -169.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.1 t -131.21 145.98 52.14 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.1 mm -121.4 -23.89 2.89 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 C-N-CA 126.417 1.887 . . . . 0.0 109.542 172.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -56.46 -30.63 63.13 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 121.595 1.998 . . . . 0.0 111.745 169.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.83 -24.7 67.9 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 172.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.6 p -125.8 2.17 7.42 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.196 1.399 . . . . 0.0 112.56 -168.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -57.99 163.31 2.82 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 125.844 1.658 . . . . 0.0 112.118 -176.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -135.75 -59.03 0.76 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 114.493 -1.23 . . . . 0.0 109.591 168.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -165.16 153.23 10.26 Favored Pre-proline 0 CA--C 1.536 0.407 0 C-N-CA 125.436 1.494 . . . . 0.0 109.39 175.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.2 177.88 4.76 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 122.591 2.194 . . . . 0.0 110.847 168.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -128.35 143.47 51.01 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 125.011 1.325 . . . . 0.0 108.395 172.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -70.58 115.0 9.25 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -132.15 35.51 3.7 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.303 1.441 . . . . 0.0 108.449 -171.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -58.78 -32.99 69.81 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.711 1.205 . . . . 0.0 111.933 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.1 p -151.42 166.37 31.28 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.145 1.378 . . . . 0.0 109.904 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.05 148.88 91.84 Favored Pre-proline 0 CA--C 1.536 0.429 0 O-C-N 121.648 -0.657 . . . . 0.0 110.769 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -67.16 158.7 55.64 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.414 2.076 . . . . 0.0 110.496 170.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 50.98 28.86 4.07 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.128 1.371 . . . . 0.0 112.96 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -58.05 153.05 36.66 Favored Pre-proline 0 CA--C 1.535 0.39 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.597 168.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -65.45 152.38 82.1 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 121.951 1.768 . . . . 0.0 109.871 169.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -63.92 128.4 35.66 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 173.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -157.67 154.39 28.27 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 125.554 1.542 . . . . 0.0 108.416 174.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.17 144.64 57.07 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.844 0.354 . . . . 0.0 110.219 168.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -156.36 178.17 10.62 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 125.189 1.396 . . . . 0.0 109.759 172.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 22.0 t -121.85 74.93 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.8 m -55.87 156.72 4.91 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.041 1.336 . . . . 0.0 112.21 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -62.8 132.64 52.86 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 168.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -86.44 -11.94 50.43 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.228 0.611 . . . . 0.0 111.636 -174.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -76.64 41.83 0.27 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.841 1.656 . . . . 0.0 112.604 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.5 m -59.54 -51.87 68.02 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 124.198 0.999 . . . . 0.0 111.392 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.5 m -53.62 -53.62 55.1 Favored Pre-proline 0 CA--C 1.537 0.455 0 CA-C-O 116.605 -1.664 . . . . 0.0 114.049 -174.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.33 -1.79 6.08 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 CA-C-N 122.366 1.881 . . . . 0.0 114.24 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -127.49 13.09 7.02 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.288 1.835 . . . . 0.0 110.69 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 171.08 63.72 0.04 OUTLIER Glycine 0 C--N 1.337 0.6 0 N-CA-C 109.586 -1.405 . . . . 0.0 109.586 -168.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -60.03 -10.27 4.04 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.155 1.382 . . . . 0.0 114.665 -169.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -52.84 -25.63 12.1 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 174.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.8 p -56.24 -34.38 66.3 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.789 0.836 . . . . 0.0 113.085 172.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 25.4 tp -81.18 55.42 2.53 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.531 1.532 . . . . 0.0 110.737 -177.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -58.72 146.89 35.0 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.267 0.627 . . . . 0.0 109.553 174.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -156.71 151.07 25.35 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.971 1.308 . . . . 0.0 108.474 177.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -150.56 151.95 33.39 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.701 1.201 . . . . 0.0 108.576 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 51.7 tp -146.32 153.23 40.3 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 125.393 1.477 . . . . 0.0 107.52 170.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -66.92 -11.92 57.81 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -148.56 161.15 42.25 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 125.946 1.698 . . . . 0.0 107.194 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 54.4 m95 -128.64 9.82 6.01 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.206 1.003 . . . . 0.0 111.947 -168.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.9 tt -56.28 149.02 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 C-N-CA 123.914 0.886 . . . . 0.0 110.166 169.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.5 -28.82 67.38 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.771 0.828 . . . . 0.0 111.878 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 64.9 mtt -69.98 -6.29 32.25 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 117.993 -1.003 . . . . 0.0 113.654 175.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.8 m 53.56 31.94 13.36 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.031 1.332 . . . . 0.0 111.924 -171.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 55.6 t30 49.85 22.74 0.89 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 127.104 2.162 . . . . 0.0 113.927 -173.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.8 mtp-105 -60.98 -31.29 70.88 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 120.008 -1.682 . . . . 0.0 112.202 178.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -64.45 -27.13 68.78 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 117.728 -1.13 . . . . 0.0 112.767 174.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 36.6 t70 21.08 -87.64 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 129.121 2.968 . . . . 0.0 114.991 -170.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 28.4 tp -145.44 50.04 1.23 Allowed 'General case' 0 C--O 1.234 0.288 0 C-N-CA 125.463 1.505 . . . . 0.0 108.775 174.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.3 tp -53.7 145.87 3.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 C-N-CA 124.235 1.014 . . . . 0.0 111.002 174.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -141.19 160.72 39.5 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.631 1.572 . . . . 0.0 108.631 175.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm . . . . . 0 C--O 1.252 1.199 0 CA-C-O 116.667 -1.635 . . . . 0.0 109.794 171.047 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.3 ttp . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.57 159.36 44.38 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 124.982 1.313 . . . . 0.0 108.924 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.43 149.57 38.11 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.696 0.799 . . . . 0.0 110.469 173.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -64.91 -29.73 70.68 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 174.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -75.04 142.59 43.74 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.982 0.913 . . . . 0.0 109.727 -174.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -144.53 153.02 41.4 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 126.174 1.79 . . . . 0.0 106.875 175.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.5 m -53.94 125.19 7.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.703 0.763 . . . . 0.0 110.436 176.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.33 -14.98 59.32 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-O 118.281 -1.288 . . . . 0.0 112.895 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.0 p -62.06 156.83 20.34 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.494 1.647 . . . . 0.0 110.023 171.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.27 127.61 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 106.661 -1.607 . . . . 0.0 106.661 177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -142.07 -170.01 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.217 1.407 . . . . 0.0 109.153 -174.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -124.3 148.58 47.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -155.15 -176.08 26.95 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 -178.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -127.08 136.13 51.73 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-N 117.571 0.685 . . . . 0.0 109.521 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 t -71.78 126.01 31.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 -173.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.6 p -113.04 -8.95 13.61 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 124.853 1.261 . . . . 0.0 112.575 -173.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.34 160.83 33.75 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 169.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.9 mt -134.96 145.41 48.13 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 175.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -154.57 158.44 39.79 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 125.266 1.426 . . . . 0.0 108.229 -172.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.19 -3.88 1.49 Allowed 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -128.53 -1.26 5.54 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.419 1.088 . . . . 0.0 113.205 177.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.89 174.88 38.48 Favored Glycine 0 C--N 1.34 0.798 0 CA-C-N 120.784 1.629 . . . . 0.0 114.275 178.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -127.05 122.81 35.42 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.844 1.658 . . . . 0.0 107.872 -176.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -78.04 139.35 39.1 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 t -134.75 114.27 17.57 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.38 144.11 44.54 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 108.172 -1.048 . . . . 0.0 108.172 172.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.1 mt -117.23 -26.98 6.58 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.504 1.521 . . . . 0.0 110.373 -170.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -161.45 162.36 30.49 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 128.002 2.521 . . . . 0.0 105.768 -175.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -57.93 -16.38 11.97 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.462 1.105 . . . . 0.0 113.558 -173.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -131.71 13.16 4.9 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.26 1.424 . . . . 0.0 111.335 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.7 m -139.73 135.53 33.24 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 119.412 1.005 . . . . 0.0 109.721 -173.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -149.69 157.49 43.28 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 125.321 1.448 . . . . 0.0 108.064 -175.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -139.65 179.7 18.54 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.321 -1.112 . . . . 0.0 110.321 170.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.4 tp -130.15 120.04 23.94 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 124.447 1.099 . . . . 0.0 108.519 -172.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.5 t -81.19 124.18 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 104.359 -2.46 . . . . 0.0 104.359 168.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -77.99 144.66 36.53 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 170.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.9 tt -53.01 -33.8 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -176.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -57.71 -23.01 49.6 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.375 1.47 . . . . 0.0 112.842 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -115.97 11.5 15.44 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.504 1.522 . . . . 0.0 110.808 -170.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.7 t -73.97 -25.39 20.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 124.162 0.985 . . . . 0.0 111.381 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 55.0 m -153.89 150.12 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 -176.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -78.99 51.11 1.09 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.724 1.209 . . . . 0.0 109.886 174.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 174.67 -176.39 46.91 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 126.323 1.916 . . . . 0.0 109.064 -173.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -60.99 157.68 14.98 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.927 0.491 . . . . 0.0 110.79 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.4 t -122.74 120.35 60.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -61.86 -51.16 69.36 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -177.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -160.4 149.95 17.59 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 128.746 2.818 . . . . 0.0 103.393 169.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.0 tt -59.15 -33.66 51.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 119.51 1.05 . . . . 0.0 111.233 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -71.48 -11.9 61.11 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.429 1.092 . . . . 0.0 111.622 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -91.6 -8.47 47.23 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.02 0.928 . . . . 0.0 111.14 173.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -125.44 -13.73 6.54 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.007 1.323 . . . . 0.0 112.582 -172.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.6 mt -146.2 175.82 10.21 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 127.169 2.188 . . . . 0.0 108.244 -179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 63.0 m -150.14 132.94 15.98 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 123.804 0.842 . . . . 0.0 109.186 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.1 p -68.02 148.03 12.09 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 172.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.49 28.27 72.57 Favored Glycine 0 CA--C 1.526 0.737 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.182 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -125.43 163.13 23.29 Favored 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -100.37 137.67 38.48 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.765 1.226 . . . . 0.0 108.087 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.4 m -144.62 145.96 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 124.188 0.995 . . . . 0.0 109.421 -174.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -82.17 139.22 34.45 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 169.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -134.99 135.93 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 125.503 1.521 . . . . 0.0 109.138 -174.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -97.33 132.07 43.42 Favored 'General case' 0 N--CA 1.46 0.051 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 171.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 75.0 t -75.22 126.28 35.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 124.488 1.115 . . . . 0.0 108.576 174.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -116.54 -21.26 9.26 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.407 1.083 . . . . 0.0 112.688 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -151.35 155.71 39.24 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 119.441 1.019 . . . . 0.0 108.778 169.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 61.4 t -139.01 139.8 39.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 105.791 -1.929 . . . . 0.0 105.791 170.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -142.65 99.42 3.48 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 171.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -77.54 -12.63 59.98 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.93 0.492 . . . . 0.0 112.051 -174.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -78.91 -44.99 21.49 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 175.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -69.39 -26.25 64.56 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.698 0.799 . . . . 0.0 111.003 170.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.57 46.11 56.46 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -172.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -132.23 157.0 45.47 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 124.821 1.249 . . . . 0.0 109.99 -173.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 58.5 mt -141.15 134.3 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 104.936 -2.246 . . . . 0.0 104.936 177.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 m -101.45 139.24 37.39 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 169.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.6 mt -126.21 168.8 13.57 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 124.834 1.254 . . . . 0.0 108.425 -170.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 65.3 m -145.89 150.96 37.08 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 121.63 -0.668 . . . . 0.0 109.355 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.7 mm -117.18 -18.27 7.03 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 C-N-CA 125.386 1.475 . . . . 0.0 109.364 177.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -52.74 -31.2 36.79 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 119.593 -1.942 . . . . 0.0 112.007 169.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.46 -24.75 62.06 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.263 1.425 . . . . 0.0 113.143 176.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.4 p -119.42 -7.36 10.2 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.667 1.187 . . . . 0.0 113.483 -169.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -58.22 -27.83 64.3 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.695 1.134 . . . . 0.0 111.33 172.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.81 121.29 16.97 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.363 0.665 . . . . 0.0 109.6 175.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 31.45 67.05 0.91 Allowed Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 127.419 2.288 . . . . 0.0 114.506 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -55.19 154.1 24.32 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.154 2.569 . . . . 0.0 112.559 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -73.24 -11.46 60.52 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.494 1.118 . . . . 0.0 111.417 171.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -55.69 148.18 16.84 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.978 1.311 . . . . 0.0 110.995 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -62.65 -29.28 70.51 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.997 0.519 . . . . 0.0 111.203 173.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -139.79 116.1 10.55 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 171.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.9 m -61.44 -36.47 80.46 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 125.428 1.491 . . . . 0.0 111.88 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -66.17 151.18 96.01 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 118.417 0.553 . . . . 0.0 109.872 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -70.57 162.31 42.93 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.667 2.911 . . . . 0.0 112.667 176.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -32.26 73.49 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.778 0.831 . . . . 0.0 110.056 169.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 85.3 mttt 64.86 80.93 0.23 Allowed Pre-proline 0 N--CA 1.469 0.494 0 C-N-CA 127.799 2.44 . . . . 0.0 112.637 -174.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -49.05 144.67 15.44 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.798 2.332 . . . . 0.0 111.783 170.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 93.6 mttt 58.62 4.2 0.35 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.274 1.83 . . . . 0.0 114.716 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -150.39 41.88 0.81 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.938 1.695 . . . . 0.0 108.141 177.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -48.66 127.71 14.02 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.663 1.185 . . . . 0.0 112.049 -169.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -68.66 177.2 2.59 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.492 170.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 29.8 m -55.01 157.29 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 124.162 0.985 . . . . 0.0 111.729 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.0 m -55.65 155.09 6.0 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.178 1.391 . . . . 0.0 112.375 -176.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -139.24 164.57 29.47 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.592 1.557 . . . . 0.0 108.154 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -65.96 -29.23 69.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.272 0.629 . . . . 0.0 111.428 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.3 114.15 1.68 Allowed 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.394 1.078 . . . . 0.0 110.448 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.7 m -137.79 11.26 2.9 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.067 1.347 . . . . 0.0 111.192 -174.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 2.7 m -60.28 147.19 82.23 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 126.284 1.834 . . . . 0.0 110.679 -174.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -51.32 -16.19 2.96 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 124.377 3.384 . . . . 0.0 115.302 169.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -46.5 -37.14 7.44 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.811 1.245 . . . . 0.0 111.541 169.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -56.71 -38.8 84.53 Favored Glycine 0 CA--C 1.534 1.223 0 CA-C-N 118.754 0.706 . . . . 0.0 112.571 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -76.92 -50.38 13.42 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.791 0.795 . . . . 0.0 109.729 172.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -60.63 -19.53 58.31 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -172.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.2 m -56.23 -21.37 22.99 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.232 1.413 . . . . 0.0 112.644 171.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -52.28 129.37 27.95 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.286 1.403 . . . . 0.0 111.169 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -87.42 -14.2 41.2 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.561 0.744 . . . . 0.0 111.955 -169.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -151.19 158.25 43.71 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.597 1.159 . . . . 0.0 108.545 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -57.82 137.68 56.37 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 53.46 26.55 5.6 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.132 1.373 . . . . 0.0 113.18 177.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -57.14 141.68 45.33 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.432 -0.793 . . . . 0.0 110.148 178.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 49.3 30.12 3.04 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.746 1.218 . . . . 0.0 112.286 -172.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 43.9 m95 55.85 26.64 9.9 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.296 1.838 . . . . 0.0 113.089 -178.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 11.1 tp -58.92 128.12 19.17 Favored 'Isoleucine or valine' 0 C--N 1.343 0.305 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 175.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -77.19 91.55 3.75 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 83.6 mtp -57.58 -24.24 55.16 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.538 0.735 . . . . 0.0 112.063 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.8 m -61.68 -21.28 64.3 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.299 0.954 . . . . 0.0 112.152 175.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -63.36 -43.58 97.26 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 119.27 0.941 . . . . 0.0 110.995 170.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -65.66 -34.99 79.5 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.694 -0.628 . . . . 0.0 110.498 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -69.33 -5.97 26.72 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 118.146 -0.931 . . . . 0.0 112.576 173.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 26.3 t0 49.34 47.33 22.44 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.096 1.358 . . . . 0.0 110.98 -169.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 33.9 tp -135.79 55.69 1.86 Allowed 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 126.15 1.78 . . . . 0.0 107.615 -172.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 20.5 tt -138.8 149.66 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 124.981 1.312 . . . . 0.0 108.779 -172.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -152.35 156.23 39.16 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.594 1.558 . . . . 0.0 107.394 176.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 88.3 tttt . . . . . 0 C--O 1.243 0.725 0 CA-C-O 118.327 -0.844 . . . . 0.0 109.161 174.207 . . . . . . . . 0 0 . 1 stop_ save_