data_2gdl_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 2gdl _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 ' 4' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? . . . . . 0 CA--C 1.513 -0.444 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.55 -36.39 91.29 Favored Glycine 0 C--N 1.354 1.549 0 C-N-CA 119.877 -1.154 . . . . 0.0 110.939 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -60.42 -30.1 69.4 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 116.778 -1.582 . . . . 0.0 110.488 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -107.32 -0.79 22.25 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.625 1.557 . . . . 0.0 113.453 175.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.04 -18.24 34.8 Favored Glycine 0 C--N 1.355 1.637 0 CA-C-O 117.363 -1.799 . . . . 0.0 112.686 174.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -159.08 61.1 0.41 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.7 2.25 . . . . 0.0 110.184 -172.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -136.78 60.01 1.67 Allowed 'General case' 0 C--N 1.353 0.743 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.6 mt 68.1 49.02 0.89 Allowed 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -173.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -140.93 -60.39 0.5 Allowed 'General case' 0 C--N 1.358 0.953 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.189 -175.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -117.16 40.24 3.06 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 119.38 0.991 . . . . 0.0 108.538 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.9 tt -173.5 -52.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.812 0 CA-C-O 117.312 -1.328 . . . . 0.0 110.778 -177.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 55.97 -89.46 0.02 OUTLIER 'General case' 0 C--N 1.357 0.933 0 CA-C-N 120.085 1.311 . . . . 0.0 109.795 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 49.96 57.22 6.78 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.142 1.337 . . . . 0.0 108.956 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -73.23 167.82 20.4 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -47.81 -57.72 9.42 Favored Pre-proline 0 C--N 1.352 0.678 0 CA-C-N 120.866 1.667 . . . . 0.0 112.459 -176.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.0 -6.36 18.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 CA-C-N 123.79 2.389 . . . . 0.0 115.047 177.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 72.14 97.78 0.07 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-N 121.076 1.762 . . . . 0.0 109.488 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -115.57 -74.52 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.034 0 CA-C-N 119.254 0.933 . . . . 0.0 110.403 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.0 m -76.21 -33.97 59.26 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.264 1.393 . . . . 0.0 109.394 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 tp -49.84 -34.43 9.49 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 CA-C-N 119.828 1.195 . . . . 0.0 109.596 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.3 m -67.46 -40.57 85.36 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.183 0.901 . . . . 0.0 109.641 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.97 -48.45 86.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -59.16 -43.94 92.09 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 119.649 -0.821 . . . . 0.0 108.904 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.54 -32.94 83.08 Favored Glycine 0 C--N 1.351 1.415 0 CA-C-O 118.459 -1.189 . . . . 0.0 111.443 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.4 t -65.25 -48.14 74.3 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.344 1.572 . . . . 0.0 108.702 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.75 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.969 -179.278 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 . . . . . 0 CA--C 1.511 -0.542 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.13 -46.9 48.33 Favored Glycine 0 C--N 1.35 1.36 0 N-CA-C 108.321 -1.912 . . . . 0.0 108.321 170.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.1 mtm105 -47.94 -45.5 31.14 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.506 -1.235 . . . . 0.0 110.924 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -84.59 -43.38 14.52 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.313 0.961 . . . . 0.0 110.156 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.51 113.82 0.45 Allowed Glycine 0 C--N 1.352 1.471 0 CA-C-O 118.092 -1.394 . . . . 0.0 112.659 -175.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 49.93 51.19 17.07 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 118.734 1.267 . . . . 0.0 110.929 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -152.56 56.89 0.81 Allowed 'General case' 0 C--N 1.352 0.68 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 pp 152.62 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.352 0.69 0 N-CA-C 105.817 -1.92 . . . . 0.0 105.817 -170.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -65.3 -48.61 72.54 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 116.975 -1.488 . . . . 0.0 108.099 168.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -131.08 -64.08 0.83 Allowed 'General case' 0 C--N 1.362 1.113 0 CA-C-O 116.924 -1.512 . . . . 0.0 113.508 -175.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.83 -53.35 27.46 Favored 'Isoleucine or valine' 0 C--N 1.359 1.011 0 CA-C-N 121.697 2.044 . . . . 0.0 107.98 -174.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? 63.98 -84.64 0.02 OUTLIER 'General case' 0 C--N 1.35 0.615 0 CA-C-O 117.457 -1.259 . . . . 0.0 109.989 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 54.74 69.71 0.7 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.445 1.475 . . . . 0.0 110.258 176.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.34 163.49 31.69 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 117.464 -1.255 . . . . 0.0 108.55 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -75.06 -53.85 2.76 Favored Pre-proline 0 C--N 1.355 0.826 0 CA-C-O 116.056 -1.926 . . . . 0.0 110.645 -175.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -63.11 -35.61 63.54 Favored 'Trans proline' 0 C--N 1.361 1.2 0 CA-C-N 124.351 2.59 . . . . 0.0 113.297 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -88.45 -49.95 6.61 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.256 -173.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.264 13.4 p 42.24 46.49 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-N 118.069 0.395 . . . . 0.0 111.544 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.9 m -72.3 -30.55 64.89 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.365 -0.826 . . . . 0.0 109.179 174.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 tp -44.07 -34.61 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-O 118.178 -0.915 . . . . 0.0 112.635 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.1 p -65.69 -43.92 87.75 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.079 1.309 . . . . 0.0 109.804 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.0 mm -55.99 -44.08 77.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -60.27 -43.34 96.26 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.25 -37.19 46.83 Favored Glycine 0 C--N 1.354 1.529 0 CA-C-O 118.168 -1.351 . . . . 0.0 111.994 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -48.43 -42.49 32.46 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 119.075 1.438 . . . . 0.0 109.961 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.784 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.653 177.284 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.368 -1.301 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.7 -44.81 48.21 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-N 120.02 1.282 . . . . 0.0 112.582 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.36 -54.55 23.18 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.785 1.292 . . . . 0.0 109.022 -178.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -69.72 -11.2 60.67 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.326 -1.321 . . . . 0.0 112.754 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.28 -22.01 79.17 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 120.938 1.699 . . . . 0.0 111.623 173.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -70.87 -59.69 2.65 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.908 1.854 . . . . 0.0 107.963 -177.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 38.92 29.32 0.03 OUTLIER 'General case' 0 C--N 1.353 0.752 0 N-CA-C 118.372 2.73 . . . . 0.0 118.372 174.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.269 3.3 pp 155.31 -40.49 0.01 OUTLIER 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.362 1.437 . . . . 0.0 109.964 178.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -63.95 -32.19 73.64 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.443 -1.265 . . . . 0.0 110.247 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -140.38 -59.93 0.52 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.64 1.109 . . . . 0.0 111.754 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 16' ' ' ARG . 4.4 tp -58.79 -45.42 91.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.945 0 CA-C-N 119.794 1.179 . . . . 0.0 109.266 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 47.4 -77.6 0.0 OUTLIER 'General case' 0 C--N 1.356 0.886 0 CA-C-O 117.372 -1.299 . . . . 0.0 114.064 175.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' ILE . 37.3 ptt180 49.02 63.13 2.26 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 121.032 1.742 . . . . 0.0 111.836 176.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -125.61 162.1 25.73 Favored 'General case' 0 C--N 1.359 1.004 0 CA-C-N 117.948 0.34 . . . . 0.0 110.627 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -60.87 -56.58 33.63 Favored Pre-proline 0 C--N 1.356 0.883 0 CA-C-O 115.81 -2.043 . . . . 0.0 112.708 -174.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -66.58 -33.04 37.6 Favored 'Trans proline' 0 C--N 1.358 1.054 0 CA-C-N 125.128 2.867 . . . . 0.0 114.292 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -77.79 -59.16 2.89 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 121.206 1.821 . . . . 0.0 110.109 -174.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t 54.81 33.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 118.673 0.669 . . . . 0.0 109.978 -173.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 t -73.98 -30.99 62.79 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.6 tp -44.69 -34.72 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-O 118.01 -0.995 . . . . 0.0 112.006 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.7 p -67.21 -47.54 70.54 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 120.013 1.279 . . . . 0.0 110.064 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.2 tt -72.21 -42.71 66.5 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 CA-C-N 120.355 1.434 . . . . 0.0 109.275 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -61.21 -47.2 87.21 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.265 0.939 . . . . 0.0 109.167 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.52 -61.95 6.52 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 109.006 -1.637 . . . . 0.0 109.006 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.3 p -53.24 -35.82 60.39 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 118.145 0.973 . . . . 0.0 111.402 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.737 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.844 -177.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 116.653 -1.642 . . . . 0.0 107.539 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -42.63 -34.85 1.88 Allowed Glycine 0 C--N 1.351 1.395 0 CA-C-N 121.284 1.856 . . . . 0.0 114.116 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -72.4 -54.17 10.15 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.568 1.684 . . . . 0.0 109.081 -178.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -64.86 -38.95 92.68 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.625 -176.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.0 61.1 4.83 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 175.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 178.92 -58.2 0.01 OUTLIER 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.202 1.001 . . . . 0.0 109.616 -178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -85.58 64.13 8.46 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -174.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp 156.84 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.757 1.286 . . . . 0.0 107.976 -175.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -82.15 -54.08 5.56 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.652 1.115 . . . . 0.0 110.02 174.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -94.65 -57.96 2.32 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.741 -1.123 . . . . 0.0 112.162 -167.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -84.33 -25.18 7.31 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 CA-C-N 119.438 1.017 . . . . 0.0 110.388 -173.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -125.62 68.09 1.16 Allowed 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 -174.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -43.13 -51.41 5.94 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.627 -1.178 . . . . 0.0 111.924 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -126.5 158.38 36.24 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.941 -172.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.348 0.1 OUTLIER -32.44 -71.84 0.08 OUTLIER Pre-proline 0 C--N 1.357 0.919 0 CA-C-O 116.348 -1.787 . . . . 0.0 114.394 -170.586 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -86.67 51.17 2.44 Favored 'Trans proline' 0 C--N 1.359 1.106 0 CA-C-N 124.695 2.712 . . . . 0.0 112.648 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.3 pttt 34.77 65.48 0.35 Allowed 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.061 0.846 . . . . 0.0 113.073 173.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.7 p -134.56 -45.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.957 0 CA-C-O 117.997 -1.001 . . . . 0.0 112.966 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 m -52.16 -34.6 45.66 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 120.897 1.68 . . . . 0.0 108.637 174.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.0 tp -42.8 -34.86 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.773 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.5 p -71.1 -42.18 69.63 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.831 1.196 . . . . 0.0 110.444 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.8 pt -78.76 -36.22 19.12 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 CA-C-N 119.806 1.185 . . . . 0.0 111.606 -175.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -51.3 -33.31 28.4 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.057 1.299 . . . . 0.0 111.366 -174.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.89 -56.97 18.08 Favored Glycine 0 C--N 1.355 1.61 0 C-N-CA 119.759 -1.21 . . . . 0.0 110.184 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.0 m -78.28 -58.01 3.48 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 118.098 0.949 . . . . 0.0 108.686 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.804 0 CA-C-O 118.136 -0.935 . . . . 0.0 112.549 179.623 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 . . . . . 0 CA--C 1.512 -0.494 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.3 -40.81 94.51 Favored Glycine 0 C--N 1.355 1.585 0 N-CA-C 109.256 -1.537 . . . . 0.0 109.256 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -53.92 -52.28 61.08 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.816 -0.612 . . . . 0.0 109.921 176.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -88.25 -1.68 58.16 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.329 -1.32 . . . . 0.0 113.224 -172.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.32 -78.01 0.57 Allowed Glycine 0 C--N 1.355 1.587 0 N-CA-C 107.038 -2.425 . . . . 0.0 107.038 174.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -40.11 -68.19 0.19 Allowed 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.062 -0.971 . . . . 0.0 112.485 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.6 t80 38.51 34.43 0.08 Allowed 'General case' 0 C--N 1.353 0.717 0 N-CA-C 117.541 2.423 . . . . 0.0 117.541 169.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.294 3.8 pp 149.9 -41.5 0.01 OUTLIER 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.397 0.999 . . . . 0.0 108.615 178.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -68.26 -34.62 76.54 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 117.496 -1.24 . . . . 0.0 110.365 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -137.32 24.49 2.96 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 117.369 -1.3 . . . . 0.0 113.15 -174.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.3 tt -156.73 -55.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.879 0 CA-C-N 120.64 1.564 . . . . 0.0 111.316 177.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? 60.92 -73.94 0.03 OUTLIER 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.023 1.283 . . . . 0.0 113.531 171.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.0 ttt-85 53.39 54.28 10.39 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.362 1.437 . . . . 0.0 109.496 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.23 170.81 12.26 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 176.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -51.82 -65.18 1.06 Allowed Pre-proline 0 C--N 1.356 0.855 0 CA-C-O 116.351 -1.785 . . . . 0.0 110.217 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -63.33 -17.73 61.43 Favored 'Trans proline' 0 C--N 1.36 1.172 0 CA-C-N 124.469 2.632 . . . . 0.0 112.964 176.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? 86.64 128.63 0.04 OUTLIER 'General case' 0 C--N 1.357 0.913 0 CA-C-O 117.084 -1.436 . . . . 0.0 107.255 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.6 t -135.62 -66.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.004 0 CA-C-N 119.745 1.157 . . . . 0.0 110.361 -172.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.6 p -87.81 -45.32 10.42 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.629 1.559 . . . . 0.0 109.107 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 tp -37.54 -39.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-N 119.732 1.151 . . . . 0.0 112.184 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 t -68.28 -44.27 75.91 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 119.894 1.225 . . . . 0.0 110.389 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 pp -68.58 -30.51 47.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 CA-C-N 119.934 1.243 . . . . 0.0 108.869 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -58.99 -47.47 85.04 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.36 -49.78 74.87 Favored Glycine 0 C--N 1.353 1.483 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 m -54.91 -36.25 65.0 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 118.021 0.91 . . . . 0.0 110.867 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.832 0 CA-C-O 117.837 -1.077 . . . . 0.0 108.865 -177.817 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 CA--C 1.509 -0.63 0 N-CA-C 104.624 -2.362 . . . . 0.0 104.624 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.14 37.3 94.27 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 108.573 -1.811 . . . . 0.0 108.573 -166.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 52.05 17.37 0.67 Allowed 'General case' 0 C--N 1.357 0.894 0 CA-C-O 117.869 -1.062 . . . . 0.0 112.892 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.501 ' CD1' ' N ' ' A' ' 8' ' ' GLY . 45.1 p90 157.38 -48.27 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 -172.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.501 ' N ' ' CD1' ' A' ' 7' ' ' PHE . . . 75.6 -69.62 2.04 Favored Glycine 0 C--N 1.356 1.641 0 CA-C-O 118.508 -1.162 . . . . 0.0 111.05 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.5 -47.11 4.19 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 118.1 0.95 . . . . 0.0 112.52 -175.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 48.0 t80 64.12 10.67 5.63 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.29 3.1 pp 159.48 -39.37 0.0 OUTLIER 'General case' 0 C--N 1.354 0.78 0 CA-C-N 121.476 1.944 . . . . 0.0 110.104 177.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -54.77 -36.88 65.34 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 117.313 -1.327 . . . . 0.0 109.467 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -146.79 31.85 0.95 Allowed 'General case' 0 C--N 1.359 0.989 0 CA-C-N 119.967 1.258 . . . . 0.0 112.948 -176.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.8 tt -161.55 -58.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.95 0 CA-C-N 121.095 1.771 . . . . 0.0 111.381 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 59.67 -80.76 0.02 OUTLIER 'General case' 0 C--N 1.355 0.816 0 CA-C-N 120.183 1.356 . . . . 0.0 111.109 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 50.59 66.61 1.11 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.158 1.345 . . . . 0.0 108.075 -178.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -175.76 3.67 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 -54.33 -62.46 3.93 Favored Pre-proline 0 C--N 1.354 0.802 0 CA-C-O 116.376 -1.773 . . . . 0.0 110.287 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.08 -15.61 43.4 Favored 'Trans proline' 0 C--N 1.358 1.034 0 CA-C-N 123.99 2.461 . . . . 0.0 113.031 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt 76.04 114.2 0.07 Allowed 'General case' 0 C--N 1.356 0.889 0 CA-C-N 120.422 1.464 . . . . 0.0 107.467 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.16 -72.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.953 0 CA-C-N 119.643 1.111 . . . . 0.0 110.455 -171.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.4 m -63.87 -37.7 88.37 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 121.72 2.055 . . . . 0.0 108.675 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.7 tp -51.47 -38.75 21.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 CA-C-N 120.483 1.492 . . . . 0.0 110.498 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -67.58 -40.32 84.85 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.431 1.014 . . . . 0.0 108.478 -178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.43 -44.66 98.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.31 -48.39 78.28 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 118.855 0.752 . . . . 0.0 109.524 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.64 -47.39 90.42 Favored Glycine 0 C--N 1.352 1.462 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -54.18 -42.92 70.21 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.039 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.821 0 CA-C-O 118.462 -0.78 . . . . 0.0 109.77 -179.766 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.87 -51.85 12.6 Favored Glycine 0 C--N 1.355 1.585 0 CA-C-O 118.078 -1.401 . . . . 0.0 114.01 -177.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -69.18 -58.18 4.4 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 120.007 1.903 . . . . 0.0 110.053 -176.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.06 -46.07 89.22 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.248 -169.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.65 94.45 0.96 Allowed Glycine 0 C--N 1.35 1.315 0 N-CA-C 105.302 -3.119 . . . . 0.0 105.302 171.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.255 53.2 mtp180 140.43 -34.7 0.01 OUTLIER 'General case' 0 C--N 1.359 1.017 0 CA-C-O 116.499 -1.715 . . . . 0.0 109.948 -178.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.465 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -64.49 54.59 0.02 OUTLIER 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.873 1.67 . . . . 0.0 115.446 -177.793 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.281 4.1 pp 146.67 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -174.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -66.3 -49.4 67.16 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.604 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -138.67 43.54 2.11 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 118.917 0.781 . . . . 0.0 110.899 -174.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 tt -169.01 -38.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 116.952 -1.499 . . . . 0.0 115.009 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? 72.78 -80.36 0.04 OUTLIER 'General case' 0 C--N 1.355 0.837 0 CA-C-N 120.855 1.661 . . . . 0.0 108.657 -176.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . 0.267 6.8 tpt180 104.4 -71.77 0.0 OUTLIER 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.554 173.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 177.58 173.96 0.51 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.682 -1.151 . . . . 0.0 110.132 -176.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.39 83.8 mtt-85 75.91 -138.33 0.0 OUTLIER Pre-proline 0 C--N 1.355 0.822 0 CA-C-O 112.006 -3.854 . . . . 0.0 106.094 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -83.22 55.76 5.22 Favored 'Trans proline' 0 C--N 1.363 1.31 1 CA-C-N 130.132 4.654 . . . . 0.0 110.956 -176.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -148.05 -69.77 0.23 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.851 -1.071 . . . . 0.0 108.919 -173.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.7 t 71.8 -48.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.952 0 N-CA-C 118.541 2.793 . . . . 0.0 118.541 167.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.4 m -40.48 -24.94 0.02 OUTLIER 'General case' 0 C--N 1.352 0.69 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -167.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 tt -46.35 -40.73 4.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 122.426 2.375 . . . . 0.0 110.637 176.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.1 p -65.0 -41.6 95.24 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.032 0.833 . . . . 0.0 109.447 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.75 -51.71 69.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -59.81 -45.92 90.83 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.087 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.91 -45.53 61.42 Favored Glycine 0 C--N 1.352 1.44 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.6 m -61.35 -55.84 27.1 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.779 0 CA-C-O 118.678 -0.677 . . . . 0.0 110.455 177.217 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 . . . . . 0 CA--C 1.512 -0.518 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.84 17.41 71.36 Favored Glycine 0 C--N 1.355 1.591 0 CA-C-O 117.443 -1.754 . . . . 0.0 110.235 -168.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.407 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 45.0 ttp85 33.49 51.61 0.35 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.093 1.446 . . . . 0.0 111.643 -177.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' A' ' 6' ' ' ARG . 8.6 m-85 143.51 -44.68 0.01 OUTLIER 'General case' 0 C--N 1.357 0.9 0 CA-C-O 117.425 -1.274 . . . . 0.0 107.951 -178.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' PHE . . . -26.58 -82.11 0.01 OUTLIER Glycine 0 C--N 1.356 1.666 0 CA-C-O 118.026 -1.43 . . . . 0.0 114.223 -177.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -53.16 -36.7 61.16 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.924 1.862 . . . . 0.0 111.672 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -81.87 61.23 5.11 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.702 1.137 . . . . 0.0 111.547 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.335 4.6 pp 151.77 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.357 0.933 0 O-C-N 124.418 1.074 . . . . 0.0 109.638 173.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -66.68 -38.59 87.1 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.738 -1.125 . . . . 0.0 109.396 176.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -137.21 -40.01 0.59 Allowed 'General case' 0 C--N 1.357 0.931 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -86.27 -43.9 16.45 Favored 'Isoleucine or valine' 0 C--N 1.358 0.948 0 CA-C-N 122.081 2.218 . . . . 0.0 111.201 -168.729 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.262 0.0 OUTLIER 39.54 -72.13 0.0 OUTLIER 'General case' 0 C--N 1.356 0.861 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 -176.544 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ILE . 64.9 ttt-85 62.87 45.58 5.49 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 120.07 1.305 . . . . 0.0 108.017 -174.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.412 ' CG ' ' O ' ' A' ' 16' ' ' ARG 0.25 14.2 p90 56.87 151.64 0.01 OUTLIER 'General case' 0 C--N 1.356 0.866 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 179.442 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.428 43.8 mtp85 112.92 -71.36 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.092 0 CA-C-O 115.728 -2.082 . . . . 0.0 109.28 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -79.77 -18.49 10.41 Favored 'Trans proline' 0 C--N 1.362 1.251 0 CA-C-N 125.771 3.097 . . . . 0.0 112.561 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -137.89 -57.57 0.67 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-O 116.836 -1.554 . . . . 0.0 112.754 -169.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.404 1.2 m 87.55 -22.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-N 120.174 1.352 . . . . 0.0 111.764 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 t -51.32 -24.73 4.91 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 120.508 1.504 . . . . 0.0 112.61 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 tp -44.95 -38.03 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.735 0 CA-C-N 120.095 1.316 . . . . 0.0 111.867 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 t -67.42 -48.73 66.45 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.45 -177.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.76 -32.73 59.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 CA-C-N 119.865 1.211 . . . . 0.0 108.571 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -62.56 -46.37 88.66 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 119.797 1.18 . . . . 0.0 109.474 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.76 -50.08 68.65 Favored Glycine 0 C--N 1.353 1.491 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.2 t -60.37 -40.31 90.36 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 117.588 0.694 . . . . 0.0 110.542 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.811 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.982 179.574 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 . . . . . 0 CA--C 1.51 -0.571 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.54 -47.93 85.65 Favored Glycine 0 C--N 1.352 1.432 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -45.71 -64.18 0.79 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-N 118.089 0.945 . . . . 0.0 111.068 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -76.55 -19.91 57.41 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.448 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.39 -43.52 7.6 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-O 118.628 -1.095 . . . . 0.0 111.732 176.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -64.78 0.95 Allowed 'General case' 0 C--N 1.354 0.79 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.2 t80 29.83 55.92 0.16 Allowed 'General case' 0 C--N 1.354 0.796 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.307 3.8 pp 155.22 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.357 0.919 0 O-C-N 124.435 1.084 . . . . 0.0 110.296 170.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -34.97 79.18 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.66 -1.162 . . . . 0.0 109.299 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -152.26 43.08 0.68 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.087 1.312 . . . . 0.0 113.696 -177.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 tp -159.91 -50.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.992 0 CA-C-N 120.105 1.32 . . . . 0.0 114.155 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -60.85 144.19 53.29 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 122.301 2.318 . . . . 0.0 111.489 -175.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.0 ttt-85 -93.51 116.66 29.18 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 119.63 1.105 . . . . 0.0 110.46 171.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -161.45 169.83 21.13 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.209 -1.377 . . . . 0.0 107.299 164.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -51.39 -51.96 64.02 Favored Pre-proline 0 C--N 1.35 0.629 0 CA-C-O 115.925 -1.988 . . . . 0.0 115.336 -168.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -86.02 56.94 4.02 Favored 'Trans proline' 0 C--N 1.359 1.096 0 CA-C-N 124.65 2.697 . . . . 0.0 111.824 -172.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 pttt 171.19 -47.54 0.01 OUTLIER 'General case' 0 C--N 1.356 0.857 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.197 -176.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p 32.51 76.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.84 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 174.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -141.48 -0.33 1.41 Allowed 'General case' 0 C--N 1.356 0.857 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 -173.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -35.0 73.72 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 CA-C-N 123.604 2.911 . . . . 0.0 106.142 168.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.5 p -50.82 -40.57 55.98 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 118.522 -0.752 . . . . 0.0 110.658 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.3 mm -57.48 -50.56 76.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.0 -50.88 71.6 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 118.817 -1.153 . . . . 0.0 107.974 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -45.88 -43.12 12.07 Favored Glycine 0 C--N 1.353 1.52 0 C-N-CA 120.086 -1.054 . . . . 0.0 111.34 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 m -66.0 -52.04 52.99 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 117.692 0.746 . . . . 0.0 109.612 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.839 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.56 -176.758 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.47 0.568 0 CA-C-O 118.09 -0.957 . . . . 0.0 108.508 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.2 p -156.47 50.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 118.974 0.806 . . . . 0.0 109.722 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -168.95 155.2 6.63 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.553 -0.737 . . . . 0.0 112.032 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -114.78 168.56 9.78 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.55 -36.39 91.29 Favored Glycine 0 C--N 1.354 1.549 0 C-N-CA 119.877 -1.154 . . . . 0.0 110.939 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -60.42 -30.1 69.4 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 116.778 -1.582 . . . . 0.0 110.488 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -107.32 -0.79 22.25 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.625 1.557 . . . . 0.0 113.453 175.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.04 -18.24 34.8 Favored Glycine 0 C--N 1.355 1.637 0 CA-C-O 117.363 -1.799 . . . . 0.0 112.686 174.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -159.08 61.1 0.41 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.7 2.25 . . . . 0.0 110.184 -172.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -136.78 60.01 1.67 Allowed 'General case' 0 C--N 1.353 0.743 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.6 mt 68.1 49.02 0.89 Allowed 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -173.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -140.93 -60.39 0.5 Allowed 'General case' 0 C--N 1.358 0.953 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.189 -175.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -117.16 40.24 3.06 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 119.38 0.991 . . . . 0.0 108.538 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.9 tt -173.5 -52.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.812 0 CA-C-O 117.312 -1.328 . . . . 0.0 110.778 -177.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 55.97 -89.46 0.02 OUTLIER 'General case' 0 C--N 1.357 0.933 0 CA-C-N 120.085 1.311 . . . . 0.0 109.795 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 49.96 57.22 6.78 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.142 1.337 . . . . 0.0 108.956 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -73.23 167.82 20.4 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -47.81 -57.72 9.42 Favored Pre-proline 0 C--N 1.352 0.678 0 CA-C-N 120.866 1.667 . . . . 0.0 112.459 -176.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.0 -6.36 18.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 CA-C-N 123.79 2.389 . . . . 0.0 115.047 177.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 72.14 97.78 0.07 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-N 121.076 1.762 . . . . 0.0 109.488 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -115.57 -74.52 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.034 0 CA-C-N 119.254 0.933 . . . . 0.0 110.403 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.0 m -76.21 -33.97 59.26 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.264 1.393 . . . . 0.0 109.394 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 tp -49.84 -34.43 9.49 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 CA-C-N 119.828 1.195 . . . . 0.0 109.596 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.3 m -67.46 -40.57 85.36 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.183 0.901 . . . . 0.0 109.641 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.97 -48.45 86.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -59.16 -43.94 92.09 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 119.649 -0.821 . . . . 0.0 108.904 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.54 -32.94 83.08 Favored Glycine 0 C--N 1.351 1.415 0 CA-C-O 118.459 -1.189 . . . . 0.0 111.443 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.4 t -65.25 -48.14 74.3 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.344 1.572 . . . . 0.0 108.702 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.02 -50.11 69.79 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.969 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -49.99 74.77 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.663 -0.684 . . . . 0.0 109.527 -176.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 C--N 1.352 0.712 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -178.857 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 N--CA 1.472 0.627 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.7 m -69.47 -35.51 67.12 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 CA-C-O 117.516 -1.23 . . . . 0.0 109.033 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 73.03 -66.08 0.33 Allowed 'General case' 0 C--N 1.359 0.991 0 CA-C-N 118.813 0.733 . . . . 0.0 109.316 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -152.06 178.05 9.86 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.13 -46.9 48.33 Favored Glycine 0 C--N 1.35 1.36 0 N-CA-C 108.321 -1.912 . . . . 0.0 108.321 170.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.1 mtm105 -47.94 -45.5 31.14 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.506 -1.235 . . . . 0.0 110.924 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -84.59 -43.38 14.52 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.313 0.961 . . . . 0.0 110.156 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.51 113.82 0.45 Allowed Glycine 0 C--N 1.352 1.471 0 CA-C-O 118.092 -1.394 . . . . 0.0 112.659 -175.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 49.93 51.19 17.07 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 118.734 1.267 . . . . 0.0 110.929 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -152.56 56.89 0.81 Allowed 'General case' 0 C--N 1.352 0.68 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 pp 152.62 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.352 0.69 0 N-CA-C 105.817 -1.92 . . . . 0.0 105.817 -170.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -65.3 -48.61 72.54 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 116.975 -1.488 . . . . 0.0 108.099 168.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -131.08 -64.08 0.83 Allowed 'General case' 0 C--N 1.362 1.113 0 CA-C-O 116.924 -1.512 . . . . 0.0 113.508 -175.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.83 -53.35 27.46 Favored 'Isoleucine or valine' 0 C--N 1.359 1.011 0 CA-C-N 121.697 2.044 . . . . 0.0 107.98 -174.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? 63.98 -84.64 0.02 OUTLIER 'General case' 0 C--N 1.35 0.615 0 CA-C-O 117.457 -1.259 . . . . 0.0 109.989 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 54.74 69.71 0.7 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.445 1.475 . . . . 0.0 110.258 176.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.34 163.49 31.69 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 117.464 -1.255 . . . . 0.0 108.55 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -75.06 -53.85 2.76 Favored Pre-proline 0 C--N 1.355 0.826 0 CA-C-O 116.056 -1.926 . . . . 0.0 110.645 -175.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -63.11 -35.61 63.54 Favored 'Trans proline' 0 C--N 1.361 1.2 0 CA-C-N 124.351 2.59 . . . . 0.0 113.297 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -88.45 -49.95 6.61 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.256 -173.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.264 13.4 p 42.24 46.49 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-N 118.069 0.395 . . . . 0.0 111.544 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.9 m -72.3 -30.55 64.89 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.365 -0.826 . . . . 0.0 109.179 174.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 tp -44.07 -34.61 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-O 118.178 -0.915 . . . . 0.0 112.635 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.1 p -65.69 -43.92 87.75 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.079 1.309 . . . . 0.0 109.804 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.0 mm -55.99 -44.08 77.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -60.27 -43.34 96.26 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.25 -37.19 46.83 Favored Glycine 0 C--N 1.354 1.529 0 CA-C-O 118.168 -1.351 . . . . 0.0 111.994 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -48.43 -42.49 32.46 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 119.075 1.438 . . . . 0.0 109.961 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.46 -61.96 0.14 Allowed 'General case' 0 C--N 1.354 0.784 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.653 177.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -169.86 -47.14 0.02 OUTLIER 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.925 -1.036 . . . . 0.0 112.22 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.7 p90 . . . . . 0 C--N 1.354 0.782 0 CA-C-N 120.462 1.483 . . . . 0.0 110.27 177.14 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 51.0 tp . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.9 -39.98 67.89 Favored 'Isoleucine or valine' 0 C--N 1.355 0.804 0 CA-C-O 118.276 -0.868 . . . . 0.0 109.398 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -162.22 -64.76 0.05 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.86 1.209 . . . . 0.0 110.994 177.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -156.87 157.44 34.91 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 117.368 -1.301 . . . . 0.0 109.648 -175.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.7 -44.81 48.21 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-N 120.02 1.282 . . . . 0.0 112.582 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.36 -54.55 23.18 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.785 1.292 . . . . 0.0 109.022 -178.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -69.72 -11.2 60.67 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.326 -1.321 . . . . 0.0 112.754 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.28 -22.01 79.17 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 120.938 1.699 . . . . 0.0 111.623 173.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -70.87 -59.69 2.65 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.908 1.854 . . . . 0.0 107.963 -177.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 38.92 29.32 0.03 OUTLIER 'General case' 0 C--N 1.353 0.752 0 N-CA-C 118.372 2.73 . . . . 0.0 118.372 174.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.269 3.3 pp 155.31 -40.49 0.01 OUTLIER 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.362 1.437 . . . . 0.0 109.964 178.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -63.95 -32.19 73.64 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.443 -1.265 . . . . 0.0 110.247 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -140.38 -59.93 0.52 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.64 1.109 . . . . 0.0 111.754 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 16' ' ' ARG . 4.4 tp -58.79 -45.42 91.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.945 0 CA-C-N 119.794 1.179 . . . . 0.0 109.266 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 47.4 -77.6 0.0 OUTLIER 'General case' 0 C--N 1.356 0.886 0 CA-C-O 117.372 -1.299 . . . . 0.0 114.064 175.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' ILE . 37.3 ptt180 49.02 63.13 2.26 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 121.032 1.742 . . . . 0.0 111.836 176.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -125.61 162.1 25.73 Favored 'General case' 0 C--N 1.359 1.004 0 CA-C-N 117.948 0.34 . . . . 0.0 110.627 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -60.87 -56.58 33.63 Favored Pre-proline 0 C--N 1.356 0.883 0 CA-C-O 115.81 -2.043 . . . . 0.0 112.708 -174.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -66.58 -33.04 37.6 Favored 'Trans proline' 0 C--N 1.358 1.054 0 CA-C-N 125.128 2.867 . . . . 0.0 114.292 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -77.79 -59.16 2.89 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 121.206 1.821 . . . . 0.0 110.109 -174.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t 54.81 33.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 118.673 0.669 . . . . 0.0 109.978 -173.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 t -73.98 -30.99 62.79 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.6 tp -44.69 -34.72 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-O 118.01 -0.995 . . . . 0.0 112.006 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.7 p -67.21 -47.54 70.54 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 120.013 1.279 . . . . 0.0 110.064 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.2 tt -72.21 -42.71 66.5 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 CA-C-N 120.355 1.434 . . . . 0.0 109.275 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -61.21 -47.2 87.21 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.265 0.939 . . . . 0.0 109.167 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.52 -61.95 6.52 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 109.006 -1.637 . . . . 0.0 109.006 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.3 p -53.24 -35.82 60.39 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 118.145 0.973 . . . . 0.0 111.402 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.81 -54.32 33.03 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.844 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -112.61 -61.92 1.66 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.129 -0.939 . . . . 0.0 108.972 -175.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.9 t80 . . . . . 0 C--N 1.355 0.815 0 CA-C-N 119.173 0.897 . . . . 0.0 109.596 -178.27 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.1 tm? . . . . . 0 N--CA 1.47 0.564 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.6 p -162.26 -47.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 117.362 -1.304 . . . . 0.0 113.448 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -59.59 125.71 24.73 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 121.469 1.941 . . . . 0.0 108.392 -175.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -170.09 156.33 5.91 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 116.653 -1.642 . . . . 0.0 107.539 -174.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -42.63 -34.85 1.88 Allowed Glycine 0 C--N 1.351 1.395 0 CA-C-N 121.284 1.856 . . . . 0.0 114.116 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -72.4 -54.17 10.15 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.568 1.684 . . . . 0.0 109.081 -178.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -64.86 -38.95 92.68 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.625 -176.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.0 61.1 4.83 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 175.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 178.92 -58.2 0.01 OUTLIER 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.202 1.001 . . . . 0.0 109.616 -178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -85.58 64.13 8.46 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -174.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp 156.84 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.757 1.286 . . . . 0.0 107.976 -175.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -82.15 -54.08 5.56 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.652 1.115 . . . . 0.0 110.02 174.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -94.65 -57.96 2.32 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.741 -1.123 . . . . 0.0 112.162 -167.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -84.33 -25.18 7.31 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 CA-C-N 119.438 1.017 . . . . 0.0 110.388 -173.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -125.62 68.09 1.16 Allowed 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 -174.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -43.13 -51.41 5.94 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.627 -1.178 . . . . 0.0 111.924 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -126.5 158.38 36.24 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.941 -172.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.348 0.1 OUTLIER -32.44 -71.84 0.08 OUTLIER Pre-proline 0 C--N 1.357 0.919 0 CA-C-O 116.348 -1.787 . . . . 0.0 114.394 -170.586 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -86.67 51.17 2.44 Favored 'Trans proline' 0 C--N 1.359 1.106 0 CA-C-N 124.695 2.712 . . . . 0.0 112.648 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.3 pttt 34.77 65.48 0.35 Allowed 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.061 0.846 . . . . 0.0 113.073 173.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.7 p -134.56 -45.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.957 0 CA-C-O 117.997 -1.001 . . . . 0.0 112.966 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 m -52.16 -34.6 45.66 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 120.897 1.68 . . . . 0.0 108.637 174.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.0 tp -42.8 -34.86 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.773 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.5 p -71.1 -42.18 69.63 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.831 1.196 . . . . 0.0 110.444 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.8 pt -78.76 -36.22 19.12 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 CA-C-N 119.806 1.185 . . . . 0.0 111.606 -175.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -51.3 -33.31 28.4 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.057 1.299 . . . . 0.0 111.366 -174.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.89 -56.97 18.08 Favored Glycine 0 C--N 1.355 1.61 0 C-N-CA 119.759 -1.21 . . . . 0.0 110.184 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.0 m -78.28 -58.01 3.48 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 118.098 0.949 . . . . 0.0 108.686 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 65.32 -69.36 0.1 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-O 118.136 -0.935 . . . . 0.0 112.549 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 54.47 55.03 8.52 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -174.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.6 t80 . . . . . 0 C--N 1.355 0.838 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -176.178 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 59.2 tp . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 87.5 t -107.77 -58.86 3.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-O 118.61 -0.709 . . . . 0.0 109.498 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -168.94 -56.62 0.02 OUTLIER 'General case' 0 C--N 1.355 0.835 0 CA-C-N 118.888 0.767 . . . . 0.0 110.563 -172.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -132.63 166.37 22.3 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.3 -40.81 94.51 Favored Glycine 0 C--N 1.355 1.585 0 N-CA-C 109.256 -1.537 . . . . 0.0 109.256 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -53.92 -52.28 61.08 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.816 -0.612 . . . . 0.0 109.921 176.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -88.25 -1.68 58.16 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.329 -1.32 . . . . 0.0 113.224 -172.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.32 -78.01 0.57 Allowed Glycine 0 C--N 1.355 1.587 0 N-CA-C 107.038 -2.425 . . . . 0.0 107.038 174.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -40.11 -68.19 0.19 Allowed 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.062 -0.971 . . . . 0.0 112.485 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.6 t80 38.51 34.43 0.08 Allowed 'General case' 0 C--N 1.353 0.717 0 N-CA-C 117.541 2.423 . . . . 0.0 117.541 169.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.294 3.8 pp 149.9 -41.5 0.01 OUTLIER 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.397 0.999 . . . . 0.0 108.615 178.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -68.26 -34.62 76.54 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 117.496 -1.24 . . . . 0.0 110.365 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -137.32 24.49 2.96 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 117.369 -1.3 . . . . 0.0 113.15 -174.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.3 tt -156.73 -55.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.879 0 CA-C-N 120.64 1.564 . . . . 0.0 111.316 177.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? 60.92 -73.94 0.03 OUTLIER 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.023 1.283 . . . . 0.0 113.531 171.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.0 ttt-85 53.39 54.28 10.39 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.362 1.437 . . . . 0.0 109.496 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.23 170.81 12.26 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 176.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -51.82 -65.18 1.06 Allowed Pre-proline 0 C--N 1.356 0.855 0 CA-C-O 116.351 -1.785 . . . . 0.0 110.217 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -63.33 -17.73 61.43 Favored 'Trans proline' 0 C--N 1.36 1.172 0 CA-C-N 124.469 2.632 . . . . 0.0 112.964 176.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? 86.64 128.63 0.04 OUTLIER 'General case' 0 C--N 1.357 0.913 0 CA-C-O 117.084 -1.436 . . . . 0.0 107.255 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.6 t -135.62 -66.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.004 0 CA-C-N 119.745 1.157 . . . . 0.0 110.361 -172.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.6 p -87.81 -45.32 10.42 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.629 1.559 . . . . 0.0 109.107 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 tp -37.54 -39.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-N 119.732 1.151 . . . . 0.0 112.184 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 t -68.28 -44.27 75.91 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 119.894 1.225 . . . . 0.0 110.389 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 pp -68.58 -30.51 47.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 CA-C-N 119.934 1.243 . . . . 0.0 108.869 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -58.99 -47.47 85.04 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.36 -49.78 74.87 Favored Glycine 0 C--N 1.353 1.483 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 m -54.91 -36.25 65.0 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 118.021 0.91 . . . . 0.0 110.867 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 74.22 -70.28 0.16 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.837 -1.077 . . . . 0.0 108.865 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -145.08 -67.35 0.31 Allowed 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.703 1.138 . . . . 0.0 110.9 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.4 t80 . . . . . 0 C--N 1.355 0.81 0 CA-C-N 119.455 1.025 . . . . 0.0 109.403 -175.13 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.1 m -136.14 39.39 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-N 119.324 0.965 . . . . 0.0 109.296 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -90.35 73.74 7.01 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 176.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -88.65 67.26 8.38 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 104.624 -2.362 . . . . 0.0 104.624 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.14 37.3 94.27 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 108.573 -1.811 . . . . 0.0 108.573 -166.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 52.05 17.37 0.67 Allowed 'General case' 0 C--N 1.357 0.894 0 CA-C-O 117.869 -1.062 . . . . 0.0 112.892 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.501 ' CD1' ' N ' ' A' ' 8' ' ' GLY . 45.1 p90 157.38 -48.27 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 -172.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.501 ' N ' ' CD1' ' A' ' 7' ' ' PHE . . . 75.6 -69.62 2.04 Favored Glycine 0 C--N 1.356 1.641 0 CA-C-O 118.508 -1.162 . . . . 0.0 111.05 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.5 -47.11 4.19 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 118.1 0.95 . . . . 0.0 112.52 -175.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 48.0 t80 64.12 10.67 5.63 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.29 3.1 pp 159.48 -39.37 0.0 OUTLIER 'General case' 0 C--N 1.354 0.78 0 CA-C-N 121.476 1.944 . . . . 0.0 110.104 177.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -54.77 -36.88 65.34 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 117.313 -1.327 . . . . 0.0 109.467 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -146.79 31.85 0.95 Allowed 'General case' 0 C--N 1.359 0.989 0 CA-C-N 119.967 1.258 . . . . 0.0 112.948 -176.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.8 tt -161.55 -58.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.95 0 CA-C-N 121.095 1.771 . . . . 0.0 111.381 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 59.67 -80.76 0.02 OUTLIER 'General case' 0 C--N 1.355 0.816 0 CA-C-N 120.183 1.356 . . . . 0.0 111.109 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 50.59 66.61 1.11 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.158 1.345 . . . . 0.0 108.075 -178.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -175.76 3.67 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 -54.33 -62.46 3.93 Favored Pre-proline 0 C--N 1.354 0.802 0 CA-C-O 116.376 -1.773 . . . . 0.0 110.287 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.08 -15.61 43.4 Favored 'Trans proline' 0 C--N 1.358 1.034 0 CA-C-N 123.99 2.461 . . . . 0.0 113.031 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt 76.04 114.2 0.07 Allowed 'General case' 0 C--N 1.356 0.889 0 CA-C-N 120.422 1.464 . . . . 0.0 107.467 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.16 -72.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.953 0 CA-C-N 119.643 1.111 . . . . 0.0 110.455 -171.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.4 m -63.87 -37.7 88.37 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 121.72 2.055 . . . . 0.0 108.675 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.7 tp -51.47 -38.75 21.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 CA-C-N 120.483 1.492 . . . . 0.0 110.498 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -67.58 -40.32 84.85 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.431 1.014 . . . . 0.0 108.478 -178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.43 -44.66 98.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.31 -48.39 78.28 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 118.855 0.752 . . . . 0.0 109.524 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.64 -47.39 90.42 Favored Glycine 0 C--N 1.352 1.462 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -54.18 -42.92 70.21 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.039 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 73.81 -63.69 0.42 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.462 -0.78 . . . . 0.0 109.77 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.9 ttt-85 -151.27 -60.15 0.17 Allowed 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.158 0.89 . . . . 0.0 110.027 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 . . . . . 0 C--N 1.355 0.831 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 172.433 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 48.9 tp . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.9 m -79.61 -31.16 13.84 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 CA-C-O 117.519 -1.229 . . . . 0.0 109.578 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -156.31 -46.41 0.07 Allowed 'General case' 0 C--N 1.358 0.946 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -154.92 160.16 40.96 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 121.744 2.065 . . . . 0.0 110.944 -171.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.87 -51.85 12.6 Favored Glycine 0 C--N 1.355 1.585 0 CA-C-O 118.078 -1.401 . . . . 0.0 114.01 -177.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -69.18 -58.18 4.4 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 120.007 1.903 . . . . 0.0 110.053 -176.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.06 -46.07 89.22 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.248 -169.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.65 94.45 0.96 Allowed Glycine 0 C--N 1.35 1.315 0 N-CA-C 105.302 -3.119 . . . . 0.0 105.302 171.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.255 53.2 mtp180 140.43 -34.7 0.01 OUTLIER 'General case' 0 C--N 1.359 1.017 0 CA-C-O 116.499 -1.715 . . . . 0.0 109.948 -178.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.465 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -64.49 54.59 0.02 OUTLIER 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.873 1.67 . . . . 0.0 115.446 -177.793 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.281 4.1 pp 146.67 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -174.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -66.3 -49.4 67.16 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.604 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -138.67 43.54 2.11 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 118.917 0.781 . . . . 0.0 110.899 -174.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 tt -169.01 -38.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 116.952 -1.499 . . . . 0.0 115.009 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? 72.78 -80.36 0.04 OUTLIER 'General case' 0 C--N 1.355 0.837 0 CA-C-N 120.855 1.661 . . . . 0.0 108.657 -176.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . 0.267 6.8 tpt180 104.4 -71.77 0.0 OUTLIER 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.554 173.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 177.58 173.96 0.51 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.682 -1.151 . . . . 0.0 110.132 -176.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.39 83.8 mtt-85 75.91 -138.33 0.0 OUTLIER Pre-proline 0 C--N 1.355 0.822 0 CA-C-O 112.006 -3.854 . . . . 0.0 106.094 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -83.22 55.76 5.22 Favored 'Trans proline' 0 C--N 1.363 1.31 1 CA-C-N 130.132 4.654 . . . . 0.0 110.956 -176.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -148.05 -69.77 0.23 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.851 -1.071 . . . . 0.0 108.919 -173.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.7 t 71.8 -48.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.952 0 N-CA-C 118.541 2.793 . . . . 0.0 118.541 167.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.4 m -40.48 -24.94 0.02 OUTLIER 'General case' 0 C--N 1.352 0.69 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -167.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 tt -46.35 -40.73 4.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 122.426 2.375 . . . . 0.0 110.637 176.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.1 p -65.0 -41.6 95.24 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.032 0.833 . . . . 0.0 109.447 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.75 -51.71 69.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -59.81 -45.92 90.83 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.087 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.91 -45.53 61.42 Favored Glycine 0 C--N 1.352 1.44 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.6 m -61.35 -55.84 27.1 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -173.89 -65.43 0.01 OUTLIER 'General case' 0 C--N 1.354 0.779 0 CA-C-O 118.678 -0.677 . . . . 0.0 110.455 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.03 -51.67 0.01 OUTLIER 'General case' 0 C--N 1.357 0.899 0 CA-C-N 118.881 0.764 . . . . 0.0 111.301 -174.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--N 1.354 0.802 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 176.78 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.1 t -69.93 -46.91 72.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 174.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -146.97 164.66 32.25 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 117.842 -1.075 . . . . 0.0 108.948 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -128.28 75.65 1.64 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 -172.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.84 17.41 71.36 Favored Glycine 0 C--N 1.355 1.591 0 CA-C-O 117.443 -1.754 . . . . 0.0 110.235 -168.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.407 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 45.0 ttp85 33.49 51.61 0.35 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.093 1.446 . . . . 0.0 111.643 -177.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' A' ' 6' ' ' ARG . 8.6 m-85 143.51 -44.68 0.01 OUTLIER 'General case' 0 C--N 1.357 0.9 0 CA-C-O 117.425 -1.274 . . . . 0.0 107.951 -178.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' PHE . . . -26.58 -82.11 0.01 OUTLIER Glycine 0 C--N 1.356 1.666 0 CA-C-O 118.026 -1.43 . . . . 0.0 114.223 -177.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -53.16 -36.7 61.16 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.924 1.862 . . . . 0.0 111.672 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -81.87 61.23 5.11 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.702 1.137 . . . . 0.0 111.547 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.335 4.6 pp 151.77 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.357 0.933 0 O-C-N 124.418 1.074 . . . . 0.0 109.638 173.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -66.68 -38.59 87.1 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.738 -1.125 . . . . 0.0 109.396 176.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -137.21 -40.01 0.59 Allowed 'General case' 0 C--N 1.357 0.931 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -86.27 -43.9 16.45 Favored 'Isoleucine or valine' 0 C--N 1.358 0.948 0 CA-C-N 122.081 2.218 . . . . 0.0 111.201 -168.729 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.262 0.0 OUTLIER 39.54 -72.13 0.0 OUTLIER 'General case' 0 C--N 1.356 0.861 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 -176.544 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ILE . 64.9 ttt-85 62.87 45.58 5.49 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 120.07 1.305 . . . . 0.0 108.017 -174.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.412 ' CG ' ' O ' ' A' ' 16' ' ' ARG 0.25 14.2 p90 56.87 151.64 0.01 OUTLIER 'General case' 0 C--N 1.356 0.866 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 179.442 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.428 43.8 mtp85 112.92 -71.36 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.092 0 CA-C-O 115.728 -2.082 . . . . 0.0 109.28 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -79.77 -18.49 10.41 Favored 'Trans proline' 0 C--N 1.362 1.251 0 CA-C-N 125.771 3.097 . . . . 0.0 112.561 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -137.89 -57.57 0.67 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-O 116.836 -1.554 . . . . 0.0 112.754 -169.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.404 1.2 m 87.55 -22.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-N 120.174 1.352 . . . . 0.0 111.764 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 t -51.32 -24.73 4.91 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 120.508 1.504 . . . . 0.0 112.61 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 tp -44.95 -38.03 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.735 0 CA-C-N 120.095 1.316 . . . . 0.0 111.867 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 t -67.42 -48.73 66.45 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.45 -177.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.76 -32.73 59.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 CA-C-N 119.865 1.211 . . . . 0.0 108.571 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -62.56 -46.37 88.66 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 119.797 1.18 . . . . 0.0 109.474 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.76 -50.08 68.65 Favored Glycine 0 C--N 1.353 1.491 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.2 t -60.37 -40.31 90.36 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 117.588 0.694 . . . . 0.0 110.542 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.73 -30.93 64.03 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.982 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 62.06 60.08 1.56 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.8 t80 . . . . . 0 C--N 1.356 0.854 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.15 -174.236 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 99.2 mt . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.695 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 m -94.74 -48.03 13.08 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 CA-C-N 119.734 1.152 . . . . 0.0 109.609 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -166.93 156.23 10.69 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-O 117.166 -1.397 . . . . 0.0 109.202 -175.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -124.47 177.25 6.01 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 119.924 1.238 . . . . 0.0 108.227 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.54 -47.93 85.65 Favored Glycine 0 C--N 1.352 1.432 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -45.71 -64.18 0.79 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-N 118.089 0.945 . . . . 0.0 111.068 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -76.55 -19.91 57.41 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.448 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.39 -43.52 7.6 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-O 118.628 -1.095 . . . . 0.0 111.732 176.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -64.78 0.95 Allowed 'General case' 0 C--N 1.354 0.79 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.2 t80 29.83 55.92 0.16 Allowed 'General case' 0 C--N 1.354 0.796 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.307 3.8 pp 155.22 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.357 0.919 0 O-C-N 124.435 1.084 . . . . 0.0 110.296 170.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -34.97 79.18 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.66 -1.162 . . . . 0.0 109.299 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -152.26 43.08 0.68 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.087 1.312 . . . . 0.0 113.696 -177.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 tp -159.91 -50.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.992 0 CA-C-N 120.105 1.32 . . . . 0.0 114.155 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -60.85 144.19 53.29 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 122.301 2.318 . . . . 0.0 111.489 -175.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.0 ttt-85 -93.51 116.66 29.18 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 119.63 1.105 . . . . 0.0 110.46 171.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -161.45 169.83 21.13 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.209 -1.377 . . . . 0.0 107.299 164.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -51.39 -51.96 64.02 Favored Pre-proline 0 C--N 1.35 0.629 0 CA-C-O 115.925 -1.988 . . . . 0.0 115.336 -168.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -86.02 56.94 4.02 Favored 'Trans proline' 0 C--N 1.359 1.096 0 CA-C-N 124.65 2.697 . . . . 0.0 111.824 -172.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 pttt 171.19 -47.54 0.01 OUTLIER 'General case' 0 C--N 1.356 0.857 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.197 -176.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p 32.51 76.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.84 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 174.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -141.48 -0.33 1.41 Allowed 'General case' 0 C--N 1.356 0.857 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 -173.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -35.0 73.72 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 CA-C-N 123.604 2.911 . . . . 0.0 106.142 168.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.5 p -50.82 -40.57 55.98 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 118.522 -0.752 . . . . 0.0 110.658 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.3 mm -57.48 -50.56 76.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.0 -50.88 71.6 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 118.817 -1.153 . . . . 0.0 107.974 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -45.88 -43.12 12.07 Favored Glycine 0 C--N 1.353 1.52 0 C-N-CA 120.086 -1.054 . . . . 0.0 111.34 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 m -66.0 -52.04 52.99 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 117.692 0.746 . . . . 0.0 109.612 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.53 -72.15 0.44 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.56 -176.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 54.02 56.08 7.52 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 118.959 0.8 . . . . 0.0 109.445 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.8 p90 . . . . . 0 C--N 1.354 0.785 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 172.802 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? . . . . . 0 CA--C 1.513 -0.444 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.55 -36.39 91.29 Favored Glycine 0 C--N 1.354 1.549 0 C-N-CA 119.877 -1.154 . . . . 0.0 110.939 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -60.42 -30.1 69.4 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 116.778 -1.582 . . . . 0.0 110.488 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -107.32 -0.79 22.25 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.625 1.557 . . . . 0.0 113.453 175.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.04 -18.24 34.8 Favored Glycine 0 C--N 1.355 1.637 0 CA-C-O 117.363 -1.799 . . . . 0.0 112.686 174.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -159.08 61.1 0.41 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.7 2.25 . . . . 0.0 110.184 -172.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -136.78 60.01 1.67 Allowed 'General case' 0 C--N 1.353 0.743 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.6 mt 68.1 49.02 0.89 Allowed 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -173.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -140.93 -60.39 0.5 Allowed 'General case' 0 C--N 1.358 0.953 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.189 -175.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -117.16 40.24 3.06 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 119.38 0.991 . . . . 0.0 108.538 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.9 tt -173.5 -52.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.812 0 CA-C-O 117.312 -1.328 . . . . 0.0 110.778 -177.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 55.97 -89.46 0.02 OUTLIER 'General case' 0 C--N 1.357 0.933 0 CA-C-N 120.085 1.311 . . . . 0.0 109.795 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 49.96 57.22 6.78 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.142 1.337 . . . . 0.0 108.956 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -73.23 167.82 20.4 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -47.81 -57.72 9.42 Favored Pre-proline 0 C--N 1.352 0.678 0 CA-C-N 120.866 1.667 . . . . 0.0 112.459 -176.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.0 -6.36 18.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 CA-C-N 123.79 2.389 . . . . 0.0 115.047 177.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 72.14 97.78 0.07 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-N 121.076 1.762 . . . . 0.0 109.488 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -115.57 -74.52 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.034 0 CA-C-N 119.254 0.933 . . . . 0.0 110.403 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.0 m -76.21 -33.97 59.26 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.264 1.393 . . . . 0.0 109.394 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 tp -49.84 -34.43 9.49 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 CA-C-N 119.828 1.195 . . . . 0.0 109.596 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.3 m -67.46 -40.57 85.36 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.183 0.901 . . . . 0.0 109.641 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.97 -48.45 86.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -59.16 -43.94 92.09 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 119.649 -0.821 . . . . 0.0 108.904 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.54 -32.94 83.08 Favored Glycine 0 C--N 1.351 1.415 0 CA-C-O 118.459 -1.189 . . . . 0.0 111.443 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.4 t -65.25 -48.14 74.3 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.344 1.572 . . . . 0.0 108.702 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.75 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.969 -179.278 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 . . . . . 0 CA--C 1.511 -0.542 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.13 -46.9 48.33 Favored Glycine 0 C--N 1.35 1.36 0 N-CA-C 108.321 -1.912 . . . . 0.0 108.321 170.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.1 mtm105 -47.94 -45.5 31.14 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.506 -1.235 . . . . 0.0 110.924 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -84.59 -43.38 14.52 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.313 0.961 . . . . 0.0 110.156 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.51 113.82 0.45 Allowed Glycine 0 C--N 1.352 1.471 0 CA-C-O 118.092 -1.394 . . . . 0.0 112.659 -175.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 49.93 51.19 17.07 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 118.734 1.267 . . . . 0.0 110.929 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -152.56 56.89 0.81 Allowed 'General case' 0 C--N 1.352 0.68 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 pp 152.62 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.352 0.69 0 N-CA-C 105.817 -1.92 . . . . 0.0 105.817 -170.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -65.3 -48.61 72.54 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 116.975 -1.488 . . . . 0.0 108.099 168.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -131.08 -64.08 0.83 Allowed 'General case' 0 C--N 1.362 1.113 0 CA-C-O 116.924 -1.512 . . . . 0.0 113.508 -175.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.83 -53.35 27.46 Favored 'Isoleucine or valine' 0 C--N 1.359 1.011 0 CA-C-N 121.697 2.044 . . . . 0.0 107.98 -174.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? 63.98 -84.64 0.02 OUTLIER 'General case' 0 C--N 1.35 0.615 0 CA-C-O 117.457 -1.259 . . . . 0.0 109.989 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 54.74 69.71 0.7 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.445 1.475 . . . . 0.0 110.258 176.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.34 163.49 31.69 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 117.464 -1.255 . . . . 0.0 108.55 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -75.06 -53.85 2.76 Favored Pre-proline 0 C--N 1.355 0.826 0 CA-C-O 116.056 -1.926 . . . . 0.0 110.645 -175.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -63.11 -35.61 63.54 Favored 'Trans proline' 0 C--N 1.361 1.2 0 CA-C-N 124.351 2.59 . . . . 0.0 113.297 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -88.45 -49.95 6.61 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.256 -173.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.264 13.4 p 42.24 46.49 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-N 118.069 0.395 . . . . 0.0 111.544 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.9 m -72.3 -30.55 64.89 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.365 -0.826 . . . . 0.0 109.179 174.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 tp -44.07 -34.61 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-O 118.178 -0.915 . . . . 0.0 112.635 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.1 p -65.69 -43.92 87.75 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.079 1.309 . . . . 0.0 109.804 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.0 mm -55.99 -44.08 77.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -60.27 -43.34 96.26 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.25 -37.19 46.83 Favored Glycine 0 C--N 1.354 1.529 0 CA-C-O 118.168 -1.351 . . . . 0.0 111.994 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -48.43 -42.49 32.46 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 119.075 1.438 . . . . 0.0 109.961 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.784 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.653 177.284 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.368 -1.301 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.7 -44.81 48.21 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-N 120.02 1.282 . . . . 0.0 112.582 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.36 -54.55 23.18 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.785 1.292 . . . . 0.0 109.022 -178.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -69.72 -11.2 60.67 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.326 -1.321 . . . . 0.0 112.754 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.28 -22.01 79.17 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 120.938 1.699 . . . . 0.0 111.623 173.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -70.87 -59.69 2.65 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.908 1.854 . . . . 0.0 107.963 -177.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 38.92 29.32 0.03 OUTLIER 'General case' 0 C--N 1.353 0.752 0 N-CA-C 118.372 2.73 . . . . 0.0 118.372 174.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.269 3.3 pp 155.31 -40.49 0.01 OUTLIER 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.362 1.437 . . . . 0.0 109.964 178.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -63.95 -32.19 73.64 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.443 -1.265 . . . . 0.0 110.247 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -140.38 -59.93 0.52 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.64 1.109 . . . . 0.0 111.754 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 16' ' ' ARG . 4.4 tp -58.79 -45.42 91.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.945 0 CA-C-N 119.794 1.179 . . . . 0.0 109.266 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 47.4 -77.6 0.0 OUTLIER 'General case' 0 C--N 1.356 0.886 0 CA-C-O 117.372 -1.299 . . . . 0.0 114.064 175.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' ILE . 37.3 ptt180 49.02 63.13 2.26 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 121.032 1.742 . . . . 0.0 111.836 176.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -125.61 162.1 25.73 Favored 'General case' 0 C--N 1.359 1.004 0 CA-C-N 117.948 0.34 . . . . 0.0 110.627 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -60.87 -56.58 33.63 Favored Pre-proline 0 C--N 1.356 0.883 0 CA-C-O 115.81 -2.043 . . . . 0.0 112.708 -174.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -66.58 -33.04 37.6 Favored 'Trans proline' 0 C--N 1.358 1.054 0 CA-C-N 125.128 2.867 . . . . 0.0 114.292 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -77.79 -59.16 2.89 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 121.206 1.821 . . . . 0.0 110.109 -174.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t 54.81 33.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 118.673 0.669 . . . . 0.0 109.978 -173.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 t -73.98 -30.99 62.79 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.6 tp -44.69 -34.72 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-O 118.01 -0.995 . . . . 0.0 112.006 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.7 p -67.21 -47.54 70.54 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 120.013 1.279 . . . . 0.0 110.064 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.2 tt -72.21 -42.71 66.5 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 CA-C-N 120.355 1.434 . . . . 0.0 109.275 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -61.21 -47.2 87.21 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.265 0.939 . . . . 0.0 109.167 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.52 -61.95 6.52 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 109.006 -1.637 . . . . 0.0 109.006 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.3 p -53.24 -35.82 60.39 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 118.145 0.973 . . . . 0.0 111.402 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.737 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.844 -177.93 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 116.653 -1.642 . . . . 0.0 107.539 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -42.63 -34.85 1.88 Allowed Glycine 0 C--N 1.351 1.395 0 CA-C-N 121.284 1.856 . . . . 0.0 114.116 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -72.4 -54.17 10.15 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.568 1.684 . . . . 0.0 109.081 -178.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -64.86 -38.95 92.68 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.625 -176.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.0 61.1 4.83 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 175.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 178.92 -58.2 0.01 OUTLIER 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.202 1.001 . . . . 0.0 109.616 -178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -85.58 64.13 8.46 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -174.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp 156.84 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.757 1.286 . . . . 0.0 107.976 -175.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -82.15 -54.08 5.56 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.652 1.115 . . . . 0.0 110.02 174.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -94.65 -57.96 2.32 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.741 -1.123 . . . . 0.0 112.162 -167.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -84.33 -25.18 7.31 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 CA-C-N 119.438 1.017 . . . . 0.0 110.388 -173.135 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -125.62 68.09 1.16 Allowed 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 -174.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -43.13 -51.41 5.94 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.627 -1.178 . . . . 0.0 111.924 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -126.5 158.38 36.24 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.941 -172.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.348 0.1 OUTLIER -32.44 -71.84 0.08 OUTLIER Pre-proline 0 C--N 1.357 0.919 0 CA-C-O 116.348 -1.787 . . . . 0.0 114.394 -170.586 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -86.67 51.17 2.44 Favored 'Trans proline' 0 C--N 1.359 1.106 0 CA-C-N 124.695 2.712 . . . . 0.0 112.648 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.3 pttt 34.77 65.48 0.35 Allowed 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.061 0.846 . . . . 0.0 113.073 173.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.7 p -134.56 -45.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.957 0 CA-C-O 117.997 -1.001 . . . . 0.0 112.966 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 m -52.16 -34.6 45.66 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 120.897 1.68 . . . . 0.0 108.637 174.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.0 tp -42.8 -34.86 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.773 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.5 p -71.1 -42.18 69.63 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.831 1.196 . . . . 0.0 110.444 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.8 pt -78.76 -36.22 19.12 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 CA-C-N 119.806 1.185 . . . . 0.0 111.606 -175.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -51.3 -33.31 28.4 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.057 1.299 . . . . 0.0 111.366 -174.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.89 -56.97 18.08 Favored Glycine 0 C--N 1.355 1.61 0 C-N-CA 119.759 -1.21 . . . . 0.0 110.184 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.0 m -78.28 -58.01 3.48 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 118.098 0.949 . . . . 0.0 108.686 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.804 0 CA-C-O 118.136 -0.935 . . . . 0.0 112.549 179.623 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 . . . . . 0 CA--C 1.512 -0.494 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.3 -40.81 94.51 Favored Glycine 0 C--N 1.355 1.585 0 N-CA-C 109.256 -1.537 . . . . 0.0 109.256 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -53.92 -52.28 61.08 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.816 -0.612 . . . . 0.0 109.921 176.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -88.25 -1.68 58.16 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.329 -1.32 . . . . 0.0 113.224 -172.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.32 -78.01 0.57 Allowed Glycine 0 C--N 1.355 1.587 0 N-CA-C 107.038 -2.425 . . . . 0.0 107.038 174.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -40.11 -68.19 0.19 Allowed 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.062 -0.971 . . . . 0.0 112.485 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.6 t80 38.51 34.43 0.08 Allowed 'General case' 0 C--N 1.353 0.717 0 N-CA-C 117.541 2.423 . . . . 0.0 117.541 169.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.294 3.8 pp 149.9 -41.5 0.01 OUTLIER 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.397 0.999 . . . . 0.0 108.615 178.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -68.26 -34.62 76.54 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 117.496 -1.24 . . . . 0.0 110.365 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -137.32 24.49 2.96 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 117.369 -1.3 . . . . 0.0 113.15 -174.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.3 tt -156.73 -55.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.879 0 CA-C-N 120.64 1.564 . . . . 0.0 111.316 177.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? 60.92 -73.94 0.03 OUTLIER 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.023 1.283 . . . . 0.0 113.531 171.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.0 ttt-85 53.39 54.28 10.39 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.362 1.437 . . . . 0.0 109.496 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.23 170.81 12.26 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 176.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -51.82 -65.18 1.06 Allowed Pre-proline 0 C--N 1.356 0.855 0 CA-C-O 116.351 -1.785 . . . . 0.0 110.217 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -63.33 -17.73 61.43 Favored 'Trans proline' 0 C--N 1.36 1.172 0 CA-C-N 124.469 2.632 . . . . 0.0 112.964 176.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? 86.64 128.63 0.04 OUTLIER 'General case' 0 C--N 1.357 0.913 0 CA-C-O 117.084 -1.436 . . . . 0.0 107.255 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.6 t -135.62 -66.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.004 0 CA-C-N 119.745 1.157 . . . . 0.0 110.361 -172.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.6 p -87.81 -45.32 10.42 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.629 1.559 . . . . 0.0 109.107 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 tp -37.54 -39.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-N 119.732 1.151 . . . . 0.0 112.184 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 t -68.28 -44.27 75.91 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 119.894 1.225 . . . . 0.0 110.389 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 pp -68.58 -30.51 47.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 CA-C-N 119.934 1.243 . . . . 0.0 108.869 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -58.99 -47.47 85.04 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.36 -49.78 74.87 Favored Glycine 0 C--N 1.353 1.483 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 m -54.91 -36.25 65.0 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 118.021 0.91 . . . . 0.0 110.867 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.832 0 CA-C-O 117.837 -1.077 . . . . 0.0 108.865 -177.817 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 CA--C 1.509 -0.63 0 N-CA-C 104.624 -2.362 . . . . 0.0 104.624 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.14 37.3 94.27 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 108.573 -1.811 . . . . 0.0 108.573 -166.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 52.05 17.37 0.67 Allowed 'General case' 0 C--N 1.357 0.894 0 CA-C-O 117.869 -1.062 . . . . 0.0 112.892 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.501 ' CD1' ' N ' ' A' ' 8' ' ' GLY . 45.1 p90 157.38 -48.27 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 -172.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.501 ' N ' ' CD1' ' A' ' 7' ' ' PHE . . . 75.6 -69.62 2.04 Favored Glycine 0 C--N 1.356 1.641 0 CA-C-O 118.508 -1.162 . . . . 0.0 111.05 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.5 -47.11 4.19 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 118.1 0.95 . . . . 0.0 112.52 -175.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.491 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 48.0 t80 64.12 10.67 5.63 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.29 3.1 pp 159.48 -39.37 0.0 OUTLIER 'General case' 0 C--N 1.354 0.78 0 CA-C-N 121.476 1.944 . . . . 0.0 110.104 177.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -54.77 -36.88 65.34 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 117.313 -1.327 . . . . 0.0 109.467 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -146.79 31.85 0.95 Allowed 'General case' 0 C--N 1.359 0.989 0 CA-C-N 119.967 1.258 . . . . 0.0 112.948 -176.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.8 tt -161.55 -58.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.95 0 CA-C-N 121.095 1.771 . . . . 0.0 111.381 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 59.67 -80.76 0.02 OUTLIER 'General case' 0 C--N 1.355 0.816 0 CA-C-N 120.183 1.356 . . . . 0.0 111.109 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 50.59 66.61 1.11 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.158 1.345 . . . . 0.0 108.075 -178.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -175.76 3.67 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 -54.33 -62.46 3.93 Favored Pre-proline 0 C--N 1.354 0.802 0 CA-C-O 116.376 -1.773 . . . . 0.0 110.287 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.08 -15.61 43.4 Favored 'Trans proline' 0 C--N 1.358 1.034 0 CA-C-N 123.99 2.461 . . . . 0.0 113.031 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt 76.04 114.2 0.07 Allowed 'General case' 0 C--N 1.356 0.889 0 CA-C-N 120.422 1.464 . . . . 0.0 107.467 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.16 -72.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.953 0 CA-C-N 119.643 1.111 . . . . 0.0 110.455 -171.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.4 m -63.87 -37.7 88.37 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 121.72 2.055 . . . . 0.0 108.675 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.7 tp -51.47 -38.75 21.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 CA-C-N 120.483 1.492 . . . . 0.0 110.498 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -67.58 -40.32 84.85 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.431 1.014 . . . . 0.0 108.478 -178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.43 -44.66 98.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.31 -48.39 78.28 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 118.855 0.752 . . . . 0.0 109.524 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.64 -47.39 90.42 Favored Glycine 0 C--N 1.352 1.462 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -54.18 -42.92 70.21 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.039 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.821 0 CA-C-O 118.462 -0.78 . . . . 0.0 109.77 -179.766 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.87 -51.85 12.6 Favored Glycine 0 C--N 1.355 1.585 0 CA-C-O 118.078 -1.401 . . . . 0.0 114.01 -177.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -69.18 -58.18 4.4 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 120.007 1.903 . . . . 0.0 110.053 -176.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.06 -46.07 89.22 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.248 -169.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.65 94.45 0.96 Allowed Glycine 0 C--N 1.35 1.315 0 N-CA-C 105.302 -3.119 . . . . 0.0 105.302 171.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.255 53.2 mtp180 140.43 -34.7 0.01 OUTLIER 'General case' 0 C--N 1.359 1.017 0 CA-C-O 116.499 -1.715 . . . . 0.0 109.948 -178.096 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -64.49 54.59 0.02 OUTLIER 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.873 1.67 . . . . 0.0 115.446 -177.793 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.281 4.1 pp 146.67 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -174.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -66.3 -49.4 67.16 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.604 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -138.67 43.54 2.11 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 118.917 0.781 . . . . 0.0 110.899 -174.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 tt -169.01 -38.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 116.952 -1.499 . . . . 0.0 115.009 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? 72.78 -80.36 0.04 OUTLIER 'General case' 0 C--N 1.355 0.837 0 CA-C-N 120.855 1.661 . . . . 0.0 108.657 -176.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . 0.267 6.8 tpt180 104.4 -71.77 0.0 OUTLIER 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.554 173.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 177.58 173.96 0.51 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.682 -1.151 . . . . 0.0 110.132 -176.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.39 83.8 mtt-85 75.91 -138.33 0.0 OUTLIER Pre-proline 0 C--N 1.355 0.822 0 CA-C-O 112.006 -3.854 . . . . 0.0 106.094 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -83.22 55.76 5.22 Favored 'Trans proline' 0 C--N 1.363 1.31 1 CA-C-N 130.132 4.654 . . . . 0.0 110.956 -176.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -148.05 -69.77 0.23 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.851 -1.071 . . . . 0.0 108.919 -173.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.7 t 71.8 -48.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.952 0 N-CA-C 118.541 2.793 . . . . 0.0 118.541 167.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.4 m -40.48 -24.94 0.02 OUTLIER 'General case' 0 C--N 1.352 0.69 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -167.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 tt -46.35 -40.73 4.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 122.426 2.375 . . . . 0.0 110.637 176.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.1 p -65.0 -41.6 95.24 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.032 0.833 . . . . 0.0 109.447 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.75 -51.71 69.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -59.81 -45.92 90.83 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.087 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.91 -45.53 61.42 Favored Glycine 0 C--N 1.352 1.44 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.6 m -61.35 -55.84 27.1 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.779 0 CA-C-O 118.678 -0.677 . . . . 0.0 110.455 177.217 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 . . . . . 0 CA--C 1.512 -0.518 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.84 17.41 71.36 Favored Glycine 0 C--N 1.355 1.591 0 CA-C-O 117.443 -1.754 . . . . 0.0 110.235 -168.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.407 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 45.0 ttp85 33.49 51.61 0.35 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.093 1.446 . . . . 0.0 111.643 -177.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' A' ' 6' ' ' ARG . 8.6 m-85 143.51 -44.68 0.01 OUTLIER 'General case' 0 C--N 1.357 0.9 0 CA-C-O 117.425 -1.274 . . . . 0.0 107.951 -178.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' PHE . . . -26.58 -82.11 0.01 OUTLIER Glycine 0 C--N 1.356 1.666 0 CA-C-O 118.026 -1.43 . . . . 0.0 114.223 -177.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -53.16 -36.7 61.16 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.924 1.862 . . . . 0.0 111.672 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -81.87 61.23 5.11 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.702 1.137 . . . . 0.0 111.547 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.335 4.6 pp 151.77 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.357 0.933 0 O-C-N 124.418 1.074 . . . . 0.0 109.638 173.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -66.68 -38.59 87.1 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.738 -1.125 . . . . 0.0 109.396 176.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -137.21 -40.01 0.59 Allowed 'General case' 0 C--N 1.357 0.931 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -86.27 -43.9 16.45 Favored 'Isoleucine or valine' 0 C--N 1.358 0.948 0 CA-C-N 122.081 2.218 . . . . 0.0 111.201 -168.729 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.262 0.0 OUTLIER 39.54 -72.13 0.0 OUTLIER 'General case' 0 C--N 1.356 0.861 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 -176.544 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ILE . 64.9 ttt-85 62.87 45.58 5.49 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 120.07 1.305 . . . . 0.0 108.017 -174.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.412 ' CG ' ' O ' ' A' ' 16' ' ' ARG 0.25 14.2 p90 56.87 151.64 0.01 OUTLIER 'General case' 0 C--N 1.356 0.866 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 179.442 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.428 43.8 mtp85 112.92 -71.36 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.092 0 CA-C-O 115.728 -2.082 . . . . 0.0 109.28 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -79.77 -18.49 10.41 Favored 'Trans proline' 0 C--N 1.362 1.251 0 CA-C-N 125.771 3.097 . . . . 0.0 112.561 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -137.89 -57.57 0.67 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-O 116.836 -1.554 . . . . 0.0 112.754 -169.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.404 1.2 m 87.55 -22.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-N 120.174 1.352 . . . . 0.0 111.764 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 t -51.32 -24.73 4.91 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 120.508 1.504 . . . . 0.0 112.61 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 tp -44.95 -38.03 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.735 0 CA-C-N 120.095 1.316 . . . . 0.0 111.867 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 t -67.42 -48.73 66.45 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.45 -177.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.76 -32.73 59.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 CA-C-N 119.865 1.211 . . . . 0.0 108.571 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -62.56 -46.37 88.66 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 119.797 1.18 . . . . 0.0 109.474 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.76 -50.08 68.65 Favored Glycine 0 C--N 1.353 1.491 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.2 t -60.37 -40.31 90.36 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 117.588 0.694 . . . . 0.0 110.542 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.811 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.982 179.574 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 . . . . . 0 CA--C 1.51 -0.571 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.54 -47.93 85.65 Favored Glycine 0 C--N 1.352 1.432 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -45.71 -64.18 0.79 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-N 118.089 0.945 . . . . 0.0 111.068 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -76.55 -19.91 57.41 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.448 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.39 -43.52 7.6 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-O 118.628 -1.095 . . . . 0.0 111.732 176.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -64.78 0.95 Allowed 'General case' 0 C--N 1.354 0.79 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.2 t80 29.83 55.92 0.16 Allowed 'General case' 0 C--N 1.354 0.796 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.307 3.8 pp 155.22 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.357 0.919 0 O-C-N 124.435 1.084 . . . . 0.0 110.296 170.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -34.97 79.18 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.66 -1.162 . . . . 0.0 109.299 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -152.26 43.08 0.68 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.087 1.312 . . . . 0.0 113.696 -177.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 tp -159.91 -50.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.992 0 CA-C-N 120.105 1.32 . . . . 0.0 114.155 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -60.85 144.19 53.29 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 122.301 2.318 . . . . 0.0 111.489 -175.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.0 ttt-85 -93.51 116.66 29.18 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 119.63 1.105 . . . . 0.0 110.46 171.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -161.45 169.83 21.13 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.209 -1.377 . . . . 0.0 107.299 164.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -51.39 -51.96 64.02 Favored Pre-proline 0 C--N 1.35 0.629 0 CA-C-O 115.925 -1.988 . . . . 0.0 115.336 -168.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -86.02 56.94 4.02 Favored 'Trans proline' 0 C--N 1.359 1.096 0 CA-C-N 124.65 2.697 . . . . 0.0 111.824 -172.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 pttt 171.19 -47.54 0.01 OUTLIER 'General case' 0 C--N 1.356 0.857 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.197 -176.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p 32.51 76.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.84 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 174.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -141.48 -0.33 1.41 Allowed 'General case' 0 C--N 1.356 0.857 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 -173.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -35.0 73.72 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 CA-C-N 123.604 2.911 . . . . 0.0 106.142 168.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.5 p -50.82 -40.57 55.98 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 118.522 -0.752 . . . . 0.0 110.658 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.3 mm -57.48 -50.56 76.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.0 -50.88 71.6 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 118.817 -1.153 . . . . 0.0 107.974 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -45.88 -43.12 12.07 Favored Glycine 0 C--N 1.353 1.52 0 C-N-CA 120.086 -1.054 . . . . 0.0 111.34 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 m -66.0 -52.04 52.99 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 117.692 0.746 . . . . 0.0 109.612 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.839 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.56 -176.758 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.47 0.568 0 CA-C-O 118.09 -0.957 . . . . 0.0 108.508 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.2 p -156.47 50.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 118.974 0.806 . . . . 0.0 109.722 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -168.95 155.2 6.63 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.553 -0.737 . . . . 0.0 112.032 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -114.78 168.56 9.78 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.55 -36.39 91.29 Favored Glycine 0 C--N 1.354 1.549 0 C-N-CA 119.877 -1.154 . . . . 0.0 110.939 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -60.42 -30.1 69.4 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 116.778 -1.582 . . . . 0.0 110.488 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -107.32 -0.79 22.25 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.625 1.557 . . . . 0.0 113.453 175.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.04 -18.24 34.8 Favored Glycine 0 C--N 1.355 1.637 0 CA-C-O 117.363 -1.799 . . . . 0.0 112.686 174.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -159.08 61.1 0.41 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.7 2.25 . . . . 0.0 110.184 -172.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -136.78 60.01 1.67 Allowed 'General case' 0 C--N 1.353 0.743 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.6 mt 68.1 49.02 0.89 Allowed 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -173.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -140.93 -60.39 0.5 Allowed 'General case' 0 C--N 1.358 0.953 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.189 -175.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -117.16 40.24 3.06 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 119.38 0.991 . . . . 0.0 108.538 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.9 tt -173.5 -52.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.812 0 CA-C-O 117.312 -1.328 . . . . 0.0 110.778 -177.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 55.97 -89.46 0.02 OUTLIER 'General case' 0 C--N 1.357 0.933 0 CA-C-N 120.085 1.311 . . . . 0.0 109.795 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 49.96 57.22 6.78 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.142 1.337 . . . . 0.0 108.956 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -73.23 167.82 20.4 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -47.81 -57.72 9.42 Favored Pre-proline 0 C--N 1.352 0.678 0 CA-C-N 120.866 1.667 . . . . 0.0 112.459 -176.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.0 -6.36 18.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 CA-C-N 123.79 2.389 . . . . 0.0 115.047 177.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 72.14 97.78 0.07 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-N 121.076 1.762 . . . . 0.0 109.488 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -115.57 -74.52 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.034 0 CA-C-N 119.254 0.933 . . . . 0.0 110.403 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.0 m -76.21 -33.97 59.26 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.264 1.393 . . . . 0.0 109.394 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 tp -49.84 -34.43 9.49 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 CA-C-N 119.828 1.195 . . . . 0.0 109.596 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.3 m -67.46 -40.57 85.36 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.183 0.901 . . . . 0.0 109.641 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.97 -48.45 86.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -59.16 -43.94 92.09 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 119.649 -0.821 . . . . 0.0 108.904 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.54 -32.94 83.08 Favored Glycine 0 C--N 1.351 1.415 0 CA-C-O 118.459 -1.189 . . . . 0.0 111.443 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.4 t -65.25 -48.14 74.3 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.344 1.572 . . . . 0.0 108.702 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.02 -50.11 69.79 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.969 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -49.99 74.77 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.663 -0.684 . . . . 0.0 109.527 -176.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 C--N 1.352 0.712 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -178.857 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 N--CA 1.472 0.627 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.7 m -69.47 -35.51 67.12 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 CA-C-O 117.516 -1.23 . . . . 0.0 109.033 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 73.03 -66.08 0.33 Allowed 'General case' 0 C--N 1.359 0.991 0 CA-C-N 118.813 0.733 . . . . 0.0 109.316 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -152.06 178.05 9.86 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.13 -46.9 48.33 Favored Glycine 0 C--N 1.35 1.36 0 N-CA-C 108.321 -1.912 . . . . 0.0 108.321 170.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.1 mtm105 -47.94 -45.5 31.14 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.506 -1.235 . . . . 0.0 110.924 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -84.59 -43.38 14.52 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.313 0.961 . . . . 0.0 110.156 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.51 113.82 0.45 Allowed Glycine 0 C--N 1.352 1.471 0 CA-C-O 118.092 -1.394 . . . . 0.0 112.659 -175.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 49.93 51.19 17.07 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 118.734 1.267 . . . . 0.0 110.929 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -152.56 56.89 0.81 Allowed 'General case' 0 C--N 1.352 0.68 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 pp 152.62 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.352 0.69 0 N-CA-C 105.817 -1.92 . . . . 0.0 105.817 -170.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -65.3 -48.61 72.54 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 116.975 -1.488 . . . . 0.0 108.099 168.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -131.08 -64.08 0.83 Allowed 'General case' 0 C--N 1.362 1.113 0 CA-C-O 116.924 -1.512 . . . . 0.0 113.508 -175.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.83 -53.35 27.46 Favored 'Isoleucine or valine' 0 C--N 1.359 1.011 0 CA-C-N 121.697 2.044 . . . . 0.0 107.98 -174.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? 63.98 -84.64 0.02 OUTLIER 'General case' 0 C--N 1.35 0.615 0 CA-C-O 117.457 -1.259 . . . . 0.0 109.989 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 54.74 69.71 0.7 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.445 1.475 . . . . 0.0 110.258 176.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.34 163.49 31.69 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 117.464 -1.255 . . . . 0.0 108.55 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -75.06 -53.85 2.76 Favored Pre-proline 0 C--N 1.355 0.826 0 CA-C-O 116.056 -1.926 . . . . 0.0 110.645 -175.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -63.11 -35.61 63.54 Favored 'Trans proline' 0 C--N 1.361 1.2 0 CA-C-N 124.351 2.59 . . . . 0.0 113.297 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -88.45 -49.95 6.61 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.256 -173.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.264 13.4 p 42.24 46.49 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-N 118.069 0.395 . . . . 0.0 111.544 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.9 m -72.3 -30.55 64.89 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.365 -0.826 . . . . 0.0 109.179 174.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 tp -44.07 -34.61 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-O 118.178 -0.915 . . . . 0.0 112.635 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.1 p -65.69 -43.92 87.75 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.079 1.309 . . . . 0.0 109.804 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.0 mm -55.99 -44.08 77.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -60.27 -43.34 96.26 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.25 -37.19 46.83 Favored Glycine 0 C--N 1.354 1.529 0 CA-C-O 118.168 -1.351 . . . . 0.0 111.994 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -48.43 -42.49 32.46 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 119.075 1.438 . . . . 0.0 109.961 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.46 -61.96 0.14 Allowed 'General case' 0 C--N 1.354 0.784 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.653 177.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -169.86 -47.14 0.02 OUTLIER 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.925 -1.036 . . . . 0.0 112.22 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.7 p90 . . . . . 0 C--N 1.354 0.782 0 CA-C-N 120.462 1.483 . . . . 0.0 110.27 177.14 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 51.0 tp . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.9 -39.98 67.89 Favored 'Isoleucine or valine' 0 C--N 1.355 0.804 0 CA-C-O 118.276 -0.868 . . . . 0.0 109.398 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -162.22 -64.76 0.05 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.86 1.209 . . . . 0.0 110.994 177.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -156.87 157.44 34.91 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 117.368 -1.301 . . . . 0.0 109.648 -175.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.7 -44.81 48.21 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-N 120.02 1.282 . . . . 0.0 112.582 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.36 -54.55 23.18 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.785 1.292 . . . . 0.0 109.022 -178.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -69.72 -11.2 60.67 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.326 -1.321 . . . . 0.0 112.754 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.28 -22.01 79.17 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 120.938 1.699 . . . . 0.0 111.623 173.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -70.87 -59.69 2.65 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.908 1.854 . . . . 0.0 107.963 -177.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 38.92 29.32 0.03 OUTLIER 'General case' 0 C--N 1.353 0.752 0 N-CA-C 118.372 2.73 . . . . 0.0 118.372 174.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.269 3.3 pp 155.31 -40.49 0.01 OUTLIER 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.362 1.437 . . . . 0.0 109.964 178.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -63.95 -32.19 73.64 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.443 -1.265 . . . . 0.0 110.247 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -140.38 -59.93 0.52 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.64 1.109 . . . . 0.0 111.754 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 16' ' ' ARG . 4.4 tp -58.79 -45.42 91.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.945 0 CA-C-N 119.794 1.179 . . . . 0.0 109.266 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 47.4 -77.6 0.0 OUTLIER 'General case' 0 C--N 1.356 0.886 0 CA-C-O 117.372 -1.299 . . . . 0.0 114.064 175.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' ILE . 37.3 ptt180 49.02 63.13 2.26 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 121.032 1.742 . . . . 0.0 111.836 176.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -125.61 162.1 25.73 Favored 'General case' 0 C--N 1.359 1.004 0 CA-C-N 117.948 0.34 . . . . 0.0 110.627 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -60.87 -56.58 33.63 Favored Pre-proline 0 C--N 1.356 0.883 0 CA-C-O 115.81 -2.043 . . . . 0.0 112.708 -174.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -66.58 -33.04 37.6 Favored 'Trans proline' 0 C--N 1.358 1.054 0 CA-C-N 125.128 2.867 . . . . 0.0 114.292 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -77.79 -59.16 2.89 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 121.206 1.821 . . . . 0.0 110.109 -174.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t 54.81 33.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 118.673 0.669 . . . . 0.0 109.978 -173.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 t -73.98 -30.99 62.79 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.6 tp -44.69 -34.72 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-O 118.01 -0.995 . . . . 0.0 112.006 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.7 p -67.21 -47.54 70.54 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 120.013 1.279 . . . . 0.0 110.064 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.2 tt -72.21 -42.71 66.5 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 CA-C-N 120.355 1.434 . . . . 0.0 109.275 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -61.21 -47.2 87.21 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.265 0.939 . . . . 0.0 109.167 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.52 -61.95 6.52 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 109.006 -1.637 . . . . 0.0 109.006 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.3 p -53.24 -35.82 60.39 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 118.145 0.973 . . . . 0.0 111.402 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.81 -54.32 33.03 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.844 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -112.61 -61.92 1.66 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.129 -0.939 . . . . 0.0 108.972 -175.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.9 t80 . . . . . 0 C--N 1.355 0.815 0 CA-C-N 119.173 0.897 . . . . 0.0 109.596 -178.27 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.1 tm? . . . . . 0 N--CA 1.47 0.564 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.6 p -162.26 -47.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 117.362 -1.304 . . . . 0.0 113.448 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -59.59 125.71 24.73 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 121.469 1.941 . . . . 0.0 108.392 -175.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -170.09 156.33 5.91 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 116.653 -1.642 . . . . 0.0 107.539 -174.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -42.63 -34.85 1.88 Allowed Glycine 0 C--N 1.351 1.395 0 CA-C-N 121.284 1.856 . . . . 0.0 114.116 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -72.4 -54.17 10.15 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.568 1.684 . . . . 0.0 109.081 -178.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -64.86 -38.95 92.68 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.625 -176.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.0 61.1 4.83 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 175.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 178.92 -58.2 0.01 OUTLIER 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.202 1.001 . . . . 0.0 109.616 -178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -85.58 64.13 8.46 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -174.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp 156.84 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.757 1.286 . . . . 0.0 107.976 -175.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -82.15 -54.08 5.56 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.652 1.115 . . . . 0.0 110.02 174.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -94.65 -57.96 2.32 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.741 -1.123 . . . . 0.0 112.162 -167.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -84.33 -25.18 7.31 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 CA-C-N 119.438 1.017 . . . . 0.0 110.388 -173.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -125.62 68.09 1.16 Allowed 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 -174.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -43.13 -51.41 5.94 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.627 -1.178 . . . . 0.0 111.924 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -126.5 158.38 36.24 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.941 -172.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.348 0.1 OUTLIER -32.44 -71.84 0.08 OUTLIER Pre-proline 0 C--N 1.357 0.919 0 CA-C-O 116.348 -1.787 . . . . 0.0 114.394 -170.586 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -86.67 51.17 2.44 Favored 'Trans proline' 0 C--N 1.359 1.106 0 CA-C-N 124.695 2.712 . . . . 0.0 112.648 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.3 pttt 34.77 65.48 0.35 Allowed 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.061 0.846 . . . . 0.0 113.073 173.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.7 p -134.56 -45.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.957 0 CA-C-O 117.997 -1.001 . . . . 0.0 112.966 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 m -52.16 -34.6 45.66 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 120.897 1.68 . . . . 0.0 108.637 174.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.0 tp -42.8 -34.86 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.773 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.5 p -71.1 -42.18 69.63 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.831 1.196 . . . . 0.0 110.444 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.8 pt -78.76 -36.22 19.12 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 CA-C-N 119.806 1.185 . . . . 0.0 111.606 -175.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -51.3 -33.31 28.4 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.057 1.299 . . . . 0.0 111.366 -174.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.89 -56.97 18.08 Favored Glycine 0 C--N 1.355 1.61 0 C-N-CA 119.759 -1.21 . . . . 0.0 110.184 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.0 m -78.28 -58.01 3.48 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 118.098 0.949 . . . . 0.0 108.686 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 65.32 -69.36 0.1 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-O 118.136 -0.935 . . . . 0.0 112.549 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 54.47 55.03 8.52 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -174.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.6 t80 . . . . . 0 C--N 1.355 0.838 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -176.178 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 59.2 tp . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 87.5 t -107.77 -58.86 3.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-O 118.61 -0.709 . . . . 0.0 109.498 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -168.94 -56.62 0.02 OUTLIER 'General case' 0 C--N 1.355 0.835 0 CA-C-N 118.888 0.767 . . . . 0.0 110.563 -172.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -132.63 166.37 22.3 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.3 -40.81 94.51 Favored Glycine 0 C--N 1.355 1.585 0 N-CA-C 109.256 -1.537 . . . . 0.0 109.256 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -53.92 -52.28 61.08 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.816 -0.612 . . . . 0.0 109.921 176.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -88.25 -1.68 58.16 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.329 -1.32 . . . . 0.0 113.224 -172.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.32 -78.01 0.57 Allowed Glycine 0 C--N 1.355 1.587 0 N-CA-C 107.038 -2.425 . . . . 0.0 107.038 174.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -40.11 -68.19 0.19 Allowed 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.062 -0.971 . . . . 0.0 112.485 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.6 t80 38.51 34.43 0.08 Allowed 'General case' 0 C--N 1.353 0.717 0 N-CA-C 117.541 2.423 . . . . 0.0 117.541 169.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.294 3.8 pp 149.9 -41.5 0.01 OUTLIER 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.397 0.999 . . . . 0.0 108.615 178.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -68.26 -34.62 76.54 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 117.496 -1.24 . . . . 0.0 110.365 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -137.32 24.49 2.96 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 117.369 -1.3 . . . . 0.0 113.15 -174.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.3 tt -156.73 -55.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.879 0 CA-C-N 120.64 1.564 . . . . 0.0 111.316 177.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? 60.92 -73.94 0.03 OUTLIER 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.023 1.283 . . . . 0.0 113.531 171.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.0 ttt-85 53.39 54.28 10.39 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.362 1.437 . . . . 0.0 109.496 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.23 170.81 12.26 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 176.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -51.82 -65.18 1.06 Allowed Pre-proline 0 C--N 1.356 0.855 0 CA-C-O 116.351 -1.785 . . . . 0.0 110.217 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -63.33 -17.73 61.43 Favored 'Trans proline' 0 C--N 1.36 1.172 0 CA-C-N 124.469 2.632 . . . . 0.0 112.964 176.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? 86.64 128.63 0.04 OUTLIER 'General case' 0 C--N 1.357 0.913 0 CA-C-O 117.084 -1.436 . . . . 0.0 107.255 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.6 t -135.62 -66.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.004 0 CA-C-N 119.745 1.157 . . . . 0.0 110.361 -172.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.6 p -87.81 -45.32 10.42 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.629 1.559 . . . . 0.0 109.107 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 tp -37.54 -39.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-N 119.732 1.151 . . . . 0.0 112.184 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 t -68.28 -44.27 75.91 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 119.894 1.225 . . . . 0.0 110.389 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 pp -68.58 -30.51 47.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 CA-C-N 119.934 1.243 . . . . 0.0 108.869 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -58.99 -47.47 85.04 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.36 -49.78 74.87 Favored Glycine 0 C--N 1.353 1.483 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 m -54.91 -36.25 65.0 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 118.021 0.91 . . . . 0.0 110.867 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 74.22 -70.28 0.16 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.837 -1.077 . . . . 0.0 108.865 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -145.08 -67.35 0.31 Allowed 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.703 1.138 . . . . 0.0 110.9 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.4 t80 . . . . . 0 C--N 1.355 0.81 0 CA-C-N 119.455 1.025 . . . . 0.0 109.403 -175.13 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.1 m -136.14 39.39 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-N 119.324 0.965 . . . . 0.0 109.296 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -90.35 73.74 7.01 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 176.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -88.65 67.26 8.38 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 104.624 -2.362 . . . . 0.0 104.624 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.14 37.3 94.27 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 108.573 -1.811 . . . . 0.0 108.573 -166.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 52.05 17.37 0.67 Allowed 'General case' 0 C--N 1.357 0.894 0 CA-C-O 117.869 -1.062 . . . . 0.0 112.892 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.501 ' CD1' ' N ' ' A' ' 8' ' ' GLY . 45.1 p90 157.38 -48.27 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 -172.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.501 ' N ' ' CD1' ' A' ' 7' ' ' PHE . . . 75.6 -69.62 2.04 Favored Glycine 0 C--N 1.356 1.641 0 CA-C-O 118.508 -1.162 . . . . 0.0 111.05 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.5 -47.11 4.19 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 118.1 0.95 . . . . 0.0 112.52 -175.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.491 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 48.0 t80 64.12 10.67 5.63 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.29 3.1 pp 159.48 -39.37 0.0 OUTLIER 'General case' 0 C--N 1.354 0.78 0 CA-C-N 121.476 1.944 . . . . 0.0 110.104 177.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -54.77 -36.88 65.34 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 117.313 -1.327 . . . . 0.0 109.467 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -146.79 31.85 0.95 Allowed 'General case' 0 C--N 1.359 0.989 0 CA-C-N 119.967 1.258 . . . . 0.0 112.948 -176.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.8 tt -161.55 -58.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.95 0 CA-C-N 121.095 1.771 . . . . 0.0 111.381 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 59.67 -80.76 0.02 OUTLIER 'General case' 0 C--N 1.355 0.816 0 CA-C-N 120.183 1.356 . . . . 0.0 111.109 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 50.59 66.61 1.11 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.158 1.345 . . . . 0.0 108.075 -178.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -175.76 3.67 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 -54.33 -62.46 3.93 Favored Pre-proline 0 C--N 1.354 0.802 0 CA-C-O 116.376 -1.773 . . . . 0.0 110.287 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.08 -15.61 43.4 Favored 'Trans proline' 0 C--N 1.358 1.034 0 CA-C-N 123.99 2.461 . . . . 0.0 113.031 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt 76.04 114.2 0.07 Allowed 'General case' 0 C--N 1.356 0.889 0 CA-C-N 120.422 1.464 . . . . 0.0 107.467 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.16 -72.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.953 0 CA-C-N 119.643 1.111 . . . . 0.0 110.455 -171.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.4 m -63.87 -37.7 88.37 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 121.72 2.055 . . . . 0.0 108.675 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.7 tp -51.47 -38.75 21.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 CA-C-N 120.483 1.492 . . . . 0.0 110.498 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -67.58 -40.32 84.85 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.431 1.014 . . . . 0.0 108.478 -178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.43 -44.66 98.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.31 -48.39 78.28 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 118.855 0.752 . . . . 0.0 109.524 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.64 -47.39 90.42 Favored Glycine 0 C--N 1.352 1.462 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -54.18 -42.92 70.21 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.039 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 73.81 -63.69 0.42 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.462 -0.78 . . . . 0.0 109.77 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.9 ttt-85 -151.27 -60.15 0.17 Allowed 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.158 0.89 . . . . 0.0 110.027 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 . . . . . 0 C--N 1.355 0.831 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 172.433 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 48.9 tp . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.9 m -79.61 -31.16 13.84 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 CA-C-O 117.519 -1.229 . . . . 0.0 109.578 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -156.31 -46.41 0.07 Allowed 'General case' 0 C--N 1.358 0.946 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -154.92 160.16 40.96 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 121.744 2.065 . . . . 0.0 110.944 -171.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.87 -51.85 12.6 Favored Glycine 0 C--N 1.355 1.585 0 CA-C-O 118.078 -1.401 . . . . 0.0 114.01 -177.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -69.18 -58.18 4.4 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 120.007 1.903 . . . . 0.0 110.053 -176.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.06 -46.07 89.22 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.248 -169.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.65 94.45 0.96 Allowed Glycine 0 C--N 1.35 1.315 0 N-CA-C 105.302 -3.119 . . . . 0.0 105.302 171.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.255 53.2 mtp180 140.43 -34.7 0.01 OUTLIER 'General case' 0 C--N 1.359 1.017 0 CA-C-O 116.499 -1.715 . . . . 0.0 109.948 -178.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -64.49 54.59 0.02 OUTLIER 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.873 1.67 . . . . 0.0 115.446 -177.793 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.281 4.1 pp 146.67 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -174.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -66.3 -49.4 67.16 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.604 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -138.67 43.54 2.11 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 118.917 0.781 . . . . 0.0 110.899 -174.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 tt -169.01 -38.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 116.952 -1.499 . . . . 0.0 115.009 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? 72.78 -80.36 0.04 OUTLIER 'General case' 0 C--N 1.355 0.837 0 CA-C-N 120.855 1.661 . . . . 0.0 108.657 -176.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . 0.267 6.8 tpt180 104.4 -71.77 0.0 OUTLIER 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.554 173.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 177.58 173.96 0.51 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.682 -1.151 . . . . 0.0 110.132 -176.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.39 83.8 mtt-85 75.91 -138.33 0.0 OUTLIER Pre-proline 0 C--N 1.355 0.822 0 CA-C-O 112.006 -3.854 . . . . 0.0 106.094 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -83.22 55.76 5.22 Favored 'Trans proline' 0 C--N 1.363 1.31 1 CA-C-N 130.132 4.654 . . . . 0.0 110.956 -176.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -148.05 -69.77 0.23 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.851 -1.071 . . . . 0.0 108.919 -173.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.7 t 71.8 -48.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.952 0 N-CA-C 118.541 2.793 . . . . 0.0 118.541 167.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.4 m -40.48 -24.94 0.02 OUTLIER 'General case' 0 C--N 1.352 0.69 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -167.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 tt -46.35 -40.73 4.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 122.426 2.375 . . . . 0.0 110.637 176.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.1 p -65.0 -41.6 95.24 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.032 0.833 . . . . 0.0 109.447 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.75 -51.71 69.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -59.81 -45.92 90.83 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.087 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.91 -45.53 61.42 Favored Glycine 0 C--N 1.352 1.44 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.6 m -61.35 -55.84 27.1 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -173.89 -65.43 0.01 OUTLIER 'General case' 0 C--N 1.354 0.779 0 CA-C-O 118.678 -0.677 . . . . 0.0 110.455 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.03 -51.67 0.01 OUTLIER 'General case' 0 C--N 1.357 0.899 0 CA-C-N 118.881 0.764 . . . . 0.0 111.301 -174.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--N 1.354 0.802 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 176.78 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.1 t -69.93 -46.91 72.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 174.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -146.97 164.66 32.25 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 117.842 -1.075 . . . . 0.0 108.948 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -128.28 75.65 1.64 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 -172.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.84 17.41 71.36 Favored Glycine 0 C--N 1.355 1.591 0 CA-C-O 117.443 -1.754 . . . . 0.0 110.235 -168.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.407 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 45.0 ttp85 33.49 51.61 0.35 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.093 1.446 . . . . 0.0 111.643 -177.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' A' ' 6' ' ' ARG . 8.6 m-85 143.51 -44.68 0.01 OUTLIER 'General case' 0 C--N 1.357 0.9 0 CA-C-O 117.425 -1.274 . . . . 0.0 107.951 -178.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' PHE . . . -26.58 -82.11 0.01 OUTLIER Glycine 0 C--N 1.356 1.666 0 CA-C-O 118.026 -1.43 . . . . 0.0 114.223 -177.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -53.16 -36.7 61.16 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.924 1.862 . . . . 0.0 111.672 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -81.87 61.23 5.11 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.702 1.137 . . . . 0.0 111.547 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.335 4.6 pp 151.77 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.357 0.933 0 O-C-N 124.418 1.074 . . . . 0.0 109.638 173.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -66.68 -38.59 87.1 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.738 -1.125 . . . . 0.0 109.396 176.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -137.21 -40.01 0.59 Allowed 'General case' 0 C--N 1.357 0.931 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -86.27 -43.9 16.45 Favored 'Isoleucine or valine' 0 C--N 1.358 0.948 0 CA-C-N 122.081 2.218 . . . . 0.0 111.201 -168.729 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.262 0.0 OUTLIER 39.54 -72.13 0.0 OUTLIER 'General case' 0 C--N 1.356 0.861 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 -176.544 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ILE . 64.9 ttt-85 62.87 45.58 5.49 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 120.07 1.305 . . . . 0.0 108.017 -174.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.412 ' CG ' ' O ' ' A' ' 16' ' ' ARG 0.25 14.2 p90 56.87 151.64 0.01 OUTLIER 'General case' 0 C--N 1.356 0.866 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 179.442 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.428 43.8 mtp85 112.92 -71.36 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.092 0 CA-C-O 115.728 -2.082 . . . . 0.0 109.28 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -79.77 -18.49 10.41 Favored 'Trans proline' 0 C--N 1.362 1.251 0 CA-C-N 125.771 3.097 . . . . 0.0 112.561 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -137.89 -57.57 0.67 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-O 116.836 -1.554 . . . . 0.0 112.754 -169.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.404 1.2 m 87.55 -22.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-N 120.174 1.352 . . . . 0.0 111.764 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 t -51.32 -24.73 4.91 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 120.508 1.504 . . . . 0.0 112.61 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 tp -44.95 -38.03 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.735 0 CA-C-N 120.095 1.316 . . . . 0.0 111.867 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 t -67.42 -48.73 66.45 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.45 -177.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.76 -32.73 59.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 CA-C-N 119.865 1.211 . . . . 0.0 108.571 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -62.56 -46.37 88.66 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 119.797 1.18 . . . . 0.0 109.474 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.76 -50.08 68.65 Favored Glycine 0 C--N 1.353 1.491 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.2 t -60.37 -40.31 90.36 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 117.588 0.694 . . . . 0.0 110.542 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.73 -30.93 64.03 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.982 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 62.06 60.08 1.56 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.8 t80 . . . . . 0 C--N 1.356 0.854 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.15 -174.236 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 99.2 mt . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.695 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 m -94.74 -48.03 13.08 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 CA-C-N 119.734 1.152 . . . . 0.0 109.609 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -166.93 156.23 10.69 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-O 117.166 -1.397 . . . . 0.0 109.202 -175.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -124.47 177.25 6.01 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 119.924 1.238 . . . . 0.0 108.227 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.54 -47.93 85.65 Favored Glycine 0 C--N 1.352 1.432 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -45.71 -64.18 0.79 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-N 118.089 0.945 . . . . 0.0 111.068 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -76.55 -19.91 57.41 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.448 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.39 -43.52 7.6 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-O 118.628 -1.095 . . . . 0.0 111.732 176.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -64.78 0.95 Allowed 'General case' 0 C--N 1.354 0.79 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.2 t80 29.83 55.92 0.16 Allowed 'General case' 0 C--N 1.354 0.796 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.307 3.8 pp 155.22 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.357 0.919 0 O-C-N 124.435 1.084 . . . . 0.0 110.296 170.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -34.97 79.18 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.66 -1.162 . . . . 0.0 109.299 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -152.26 43.08 0.68 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.087 1.312 . . . . 0.0 113.696 -177.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 tp -159.91 -50.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.992 0 CA-C-N 120.105 1.32 . . . . 0.0 114.155 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -60.85 144.19 53.29 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 122.301 2.318 . . . . 0.0 111.489 -175.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.0 ttt-85 -93.51 116.66 29.18 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 119.63 1.105 . . . . 0.0 110.46 171.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -161.45 169.83 21.13 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.209 -1.377 . . . . 0.0 107.299 164.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -51.39 -51.96 64.02 Favored Pre-proline 0 C--N 1.35 0.629 0 CA-C-O 115.925 -1.988 . . . . 0.0 115.336 -168.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -86.02 56.94 4.02 Favored 'Trans proline' 0 C--N 1.359 1.096 0 CA-C-N 124.65 2.697 . . . . 0.0 111.824 -172.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 pttt 171.19 -47.54 0.01 OUTLIER 'General case' 0 C--N 1.356 0.857 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.197 -176.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p 32.51 76.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.84 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 174.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -141.48 -0.33 1.41 Allowed 'General case' 0 C--N 1.356 0.857 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 -173.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -35.0 73.72 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 CA-C-N 123.604 2.911 . . . . 0.0 106.142 168.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.5 p -50.82 -40.57 55.98 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 118.522 -0.752 . . . . 0.0 110.658 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.3 mm -57.48 -50.56 76.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.0 -50.88 71.6 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 118.817 -1.153 . . . . 0.0 107.974 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -45.88 -43.12 12.07 Favored Glycine 0 C--N 1.353 1.52 0 C-N-CA 120.086 -1.054 . . . . 0.0 111.34 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 m -66.0 -52.04 52.99 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 117.692 0.746 . . . . 0.0 109.612 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.53 -72.15 0.44 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.56 -176.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 54.02 56.08 7.52 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 118.959 0.8 . . . . 0.0 109.445 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.8 p90 . . . . . 0 C--N 1.354 0.785 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 172.802 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? . . . . . 0 CA--C 1.513 -0.444 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.55 -36.39 91.29 Favored Glycine 0 C--N 1.354 1.549 0 C-N-CA 119.877 -1.154 . . . . 0.0 110.939 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -60.42 -30.1 69.4 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 116.778 -1.582 . . . . 0.0 110.488 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -107.32 -0.79 22.25 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.625 1.557 . . . . 0.0 113.453 175.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.04 -18.24 34.8 Favored Glycine 0 C--N 1.355 1.637 0 CA-C-O 117.363 -1.799 . . . . 0.0 112.686 174.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -159.08 61.1 0.41 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.7 2.25 . . . . 0.0 110.184 -172.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -136.78 60.01 1.67 Allowed 'General case' 0 C--N 1.353 0.743 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.6 mt 68.1 49.02 0.89 Allowed 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -173.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -140.93 -60.39 0.5 Allowed 'General case' 0 C--N 1.358 0.953 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.189 -175.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -117.16 40.24 3.06 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 119.38 0.991 . . . . 0.0 108.538 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.9 tt -173.5 -52.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.812 0 CA-C-O 117.312 -1.328 . . . . 0.0 110.778 -177.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 55.97 -89.46 0.02 OUTLIER 'General case' 0 C--N 1.357 0.933 0 CA-C-N 120.085 1.311 . . . . 0.0 109.795 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 49.96 57.22 6.78 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.142 1.337 . . . . 0.0 108.956 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -73.23 167.82 20.4 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -47.81 -57.72 9.42 Favored Pre-proline 0 C--N 1.352 0.678 0 CA-C-N 120.866 1.667 . . . . 0.0 112.459 -176.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.0 -6.36 18.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 CA-C-N 123.79 2.389 . . . . 0.0 115.047 177.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 72.14 97.78 0.07 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-N 121.076 1.762 . . . . 0.0 109.488 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -115.57 -74.52 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.034 0 CA-C-N 119.254 0.933 . . . . 0.0 110.403 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.0 m -76.21 -33.97 59.26 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.264 1.393 . . . . 0.0 109.394 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 tp -49.84 -34.43 9.49 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 CA-C-N 119.828 1.195 . . . . 0.0 109.596 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.3 m -67.46 -40.57 85.36 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.183 0.901 . . . . 0.0 109.641 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.97 -48.45 86.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -59.16 -43.94 92.09 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 119.649 -0.821 . . . . 0.0 108.904 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.54 -32.94 83.08 Favored Glycine 0 C--N 1.351 1.415 0 CA-C-O 118.459 -1.189 . . . . 0.0 111.443 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.4 t -65.25 -48.14 74.3 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.344 1.572 . . . . 0.0 108.702 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.75 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.969 -179.278 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 . . . . . 0 CA--C 1.511 -0.542 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.13 -46.9 48.33 Favored Glycine 0 C--N 1.35 1.36 0 N-CA-C 108.321 -1.912 . . . . 0.0 108.321 170.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.1 mtm105 -47.94 -45.5 31.14 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.506 -1.235 . . . . 0.0 110.924 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -84.59 -43.38 14.52 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.313 0.961 . . . . 0.0 110.156 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.51 113.82 0.45 Allowed Glycine 0 C--N 1.352 1.471 0 CA-C-O 118.092 -1.394 . . . . 0.0 112.659 -175.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 49.93 51.19 17.07 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 118.734 1.267 . . . . 0.0 110.929 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -152.56 56.89 0.81 Allowed 'General case' 0 C--N 1.352 0.68 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 pp 152.62 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.352 0.69 0 N-CA-C 105.817 -1.92 . . . . 0.0 105.817 -170.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -65.3 -48.61 72.54 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 116.975 -1.488 . . . . 0.0 108.099 168.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -131.08 -64.08 0.83 Allowed 'General case' 0 C--N 1.362 1.113 0 CA-C-O 116.924 -1.512 . . . . 0.0 113.508 -175.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.83 -53.35 27.46 Favored 'Isoleucine or valine' 0 C--N 1.359 1.011 0 CA-C-N 121.697 2.044 . . . . 0.0 107.98 -174.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? 63.98 -84.64 0.02 OUTLIER 'General case' 0 C--N 1.35 0.615 0 CA-C-O 117.457 -1.259 . . . . 0.0 109.989 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 54.74 69.71 0.7 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.445 1.475 . . . . 0.0 110.258 176.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.34 163.49 31.69 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 117.464 -1.255 . . . . 0.0 108.55 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -75.06 -53.85 2.76 Favored Pre-proline 0 C--N 1.355 0.826 0 CA-C-O 116.056 -1.926 . . . . 0.0 110.645 -175.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -63.11 -35.61 63.54 Favored 'Trans proline' 0 C--N 1.361 1.2 0 CA-C-N 124.351 2.59 . . . . 0.0 113.297 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -88.45 -49.95 6.61 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.256 -173.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.264 13.4 p 42.24 46.49 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-N 118.069 0.395 . . . . 0.0 111.544 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.9 m -72.3 -30.55 64.89 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.365 -0.826 . . . . 0.0 109.179 174.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 tp -44.07 -34.61 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-O 118.178 -0.915 . . . . 0.0 112.635 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.1 p -65.69 -43.92 87.75 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.079 1.309 . . . . 0.0 109.804 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.0 mm -55.99 -44.08 77.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -60.27 -43.34 96.26 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.25 -37.19 46.83 Favored Glycine 0 C--N 1.354 1.529 0 CA-C-O 118.168 -1.351 . . . . 0.0 111.994 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -48.43 -42.49 32.46 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 119.075 1.438 . . . . 0.0 109.961 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.784 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.653 177.284 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.368 -1.301 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.7 -44.81 48.21 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-N 120.02 1.282 . . . . 0.0 112.582 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.36 -54.55 23.18 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.785 1.292 . . . . 0.0 109.022 -178.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -69.72 -11.2 60.67 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.326 -1.321 . . . . 0.0 112.754 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.28 -22.01 79.17 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 120.938 1.699 . . . . 0.0 111.623 173.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -70.87 -59.69 2.65 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.908 1.854 . . . . 0.0 107.963 -177.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 38.92 29.32 0.03 OUTLIER 'General case' 0 C--N 1.353 0.752 0 N-CA-C 118.372 2.73 . . . . 0.0 118.372 174.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.269 3.3 pp 155.31 -40.49 0.01 OUTLIER 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.362 1.437 . . . . 0.0 109.964 178.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -63.95 -32.19 73.64 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.443 -1.265 . . . . 0.0 110.247 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -140.38 -59.93 0.52 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.64 1.109 . . . . 0.0 111.754 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 16' ' ' ARG . 4.4 tp -58.79 -45.42 91.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.945 0 CA-C-N 119.794 1.179 . . . . 0.0 109.266 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 47.4 -77.6 0.0 OUTLIER 'General case' 0 C--N 1.356 0.886 0 CA-C-O 117.372 -1.299 . . . . 0.0 114.064 175.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' ILE . 37.3 ptt180 49.02 63.13 2.26 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 121.032 1.742 . . . . 0.0 111.836 176.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -125.61 162.1 25.73 Favored 'General case' 0 C--N 1.359 1.004 0 CA-C-N 117.948 0.34 . . . . 0.0 110.627 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -60.87 -56.58 33.63 Favored Pre-proline 0 C--N 1.356 0.883 0 CA-C-O 115.81 -2.043 . . . . 0.0 112.708 -174.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -66.58 -33.04 37.6 Favored 'Trans proline' 0 C--N 1.358 1.054 0 CA-C-N 125.128 2.867 . . . . 0.0 114.292 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -77.79 -59.16 2.89 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 121.206 1.821 . . . . 0.0 110.109 -174.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t 54.81 33.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 118.673 0.669 . . . . 0.0 109.978 -173.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 t -73.98 -30.99 62.79 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.6 tp -44.69 -34.72 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-O 118.01 -0.995 . . . . 0.0 112.006 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.7 p -67.21 -47.54 70.54 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 120.013 1.279 . . . . 0.0 110.064 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.2 tt -72.21 -42.71 66.5 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 CA-C-N 120.355 1.434 . . . . 0.0 109.275 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -61.21 -47.2 87.21 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.265 0.939 . . . . 0.0 109.167 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.52 -61.95 6.52 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 109.006 -1.637 . . . . 0.0 109.006 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.3 p -53.24 -35.82 60.39 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 118.145 0.973 . . . . 0.0 111.402 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 0.737 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.844 -177.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 116.653 -1.642 . . . . 0.0 107.539 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -42.63 -34.85 1.88 Allowed Glycine 0 C--N 1.351 1.395 0 CA-C-N 121.284 1.856 . . . . 0.0 114.116 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -72.4 -54.17 10.15 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.568 1.684 . . . . 0.0 109.081 -178.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -64.86 -38.95 92.68 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.625 -176.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.0 61.1 4.83 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 175.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 178.92 -58.2 0.01 OUTLIER 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.202 1.001 . . . . 0.0 109.616 -178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -85.58 64.13 8.46 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -174.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp 156.84 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.757 1.286 . . . . 0.0 107.976 -175.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -82.15 -54.08 5.56 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.652 1.115 . . . . 0.0 110.02 174.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -94.65 -57.96 2.32 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.741 -1.123 . . . . 0.0 112.162 -167.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -84.33 -25.18 7.31 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 CA-C-N 119.438 1.017 . . . . 0.0 110.388 -173.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -125.62 68.09 1.16 Allowed 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 -174.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -43.13 -51.41 5.94 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.627 -1.178 . . . . 0.0 111.924 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -126.5 158.38 36.24 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.941 -172.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.348 0.1 OUTLIER -32.44 -71.84 0.08 OUTLIER Pre-proline 0 C--N 1.357 0.919 0 CA-C-O 116.348 -1.787 . . . . 0.0 114.394 -170.586 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -86.67 51.17 2.44 Favored 'Trans proline' 0 C--N 1.359 1.106 0 CA-C-N 124.695 2.712 . . . . 0.0 112.648 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.3 pttt 34.77 65.48 0.35 Allowed 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.061 0.846 . . . . 0.0 113.073 173.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.7 p -134.56 -45.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.957 0 CA-C-O 117.997 -1.001 . . . . 0.0 112.966 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 m -52.16 -34.6 45.66 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 120.897 1.68 . . . . 0.0 108.637 174.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.0 tp -42.8 -34.86 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.773 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.5 p -71.1 -42.18 69.63 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.831 1.196 . . . . 0.0 110.444 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.8 pt -78.76 -36.22 19.12 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 CA-C-N 119.806 1.185 . . . . 0.0 111.606 -175.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -51.3 -33.31 28.4 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.057 1.299 . . . . 0.0 111.366 -174.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.89 -56.97 18.08 Favored Glycine 0 C--N 1.355 1.61 0 C-N-CA 119.759 -1.21 . . . . 0.0 110.184 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.0 m -78.28 -58.01 3.48 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 118.098 0.949 . . . . 0.0 108.686 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.804 0 CA-C-O 118.136 -0.935 . . . . 0.0 112.549 179.623 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 . . . . . 0 CA--C 1.512 -0.494 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.3 -40.81 94.51 Favored Glycine 0 C--N 1.355 1.585 0 N-CA-C 109.256 -1.537 . . . . 0.0 109.256 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -53.92 -52.28 61.08 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.816 -0.612 . . . . 0.0 109.921 176.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -88.25 -1.68 58.16 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.329 -1.32 . . . . 0.0 113.224 -172.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.32 -78.01 0.57 Allowed Glycine 0 C--N 1.355 1.587 0 N-CA-C 107.038 -2.425 . . . . 0.0 107.038 174.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -40.11 -68.19 0.19 Allowed 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.062 -0.971 . . . . 0.0 112.485 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.6 t80 38.51 34.43 0.08 Allowed 'General case' 0 C--N 1.353 0.717 0 N-CA-C 117.541 2.423 . . . . 0.0 117.541 169.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.294 3.8 pp 149.9 -41.5 0.01 OUTLIER 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.397 0.999 . . . . 0.0 108.615 178.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -68.26 -34.62 76.54 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 117.496 -1.24 . . . . 0.0 110.365 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -137.32 24.49 2.96 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 117.369 -1.3 . . . . 0.0 113.15 -174.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.3 tt -156.73 -55.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.879 0 CA-C-N 120.64 1.564 . . . . 0.0 111.316 177.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? 60.92 -73.94 0.03 OUTLIER 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.023 1.283 . . . . 0.0 113.531 171.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.0 ttt-85 53.39 54.28 10.39 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.362 1.437 . . . . 0.0 109.496 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.23 170.81 12.26 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 176.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -51.82 -65.18 1.06 Allowed Pre-proline 0 C--N 1.356 0.855 0 CA-C-O 116.351 -1.785 . . . . 0.0 110.217 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -63.33 -17.73 61.43 Favored 'Trans proline' 0 C--N 1.36 1.172 0 CA-C-N 124.469 2.632 . . . . 0.0 112.964 176.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? 86.64 128.63 0.04 OUTLIER 'General case' 0 C--N 1.357 0.913 0 CA-C-O 117.084 -1.436 . . . . 0.0 107.255 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.6 t -135.62 -66.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.004 0 CA-C-N 119.745 1.157 . . . . 0.0 110.361 -172.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.6 p -87.81 -45.32 10.42 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.629 1.559 . . . . 0.0 109.107 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 tp -37.54 -39.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-N 119.732 1.151 . . . . 0.0 112.184 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 t -68.28 -44.27 75.91 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 119.894 1.225 . . . . 0.0 110.389 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 pp -68.58 -30.51 47.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 CA-C-N 119.934 1.243 . . . . 0.0 108.869 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -58.99 -47.47 85.04 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.36 -49.78 74.87 Favored Glycine 0 C--N 1.353 1.483 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 m -54.91 -36.25 65.0 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 118.021 0.91 . . . . 0.0 110.867 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.832 0 CA-C-O 117.837 -1.077 . . . . 0.0 108.865 -177.817 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 CA--C 1.509 -0.63 0 N-CA-C 104.624 -2.362 . . . . 0.0 104.624 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.14 37.3 94.27 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 108.573 -1.811 . . . . 0.0 108.573 -166.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 52.05 17.37 0.67 Allowed 'General case' 0 C--N 1.357 0.894 0 CA-C-O 117.869 -1.062 . . . . 0.0 112.892 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.501 ' CD1' ' N ' ' A' ' 8' ' ' GLY . 45.1 p90 157.38 -48.27 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 -172.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.501 ' N ' ' CD1' ' A' ' 7' ' ' PHE . . . 75.6 -69.62 2.04 Favored Glycine 0 C--N 1.356 1.641 0 CA-C-O 118.508 -1.162 . . . . 0.0 111.05 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.5 -47.11 4.19 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 118.1 0.95 . . . . 0.0 112.52 -175.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.491 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 48.0 t80 64.12 10.67 5.63 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.29 3.1 pp 159.48 -39.37 0.0 OUTLIER 'General case' 0 C--N 1.354 0.78 0 CA-C-N 121.476 1.944 . . . . 0.0 110.104 177.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -54.77 -36.88 65.34 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 117.313 -1.327 . . . . 0.0 109.467 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -146.79 31.85 0.95 Allowed 'General case' 0 C--N 1.359 0.989 0 CA-C-N 119.967 1.258 . . . . 0.0 112.948 -176.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.8 tt -161.55 -58.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.95 0 CA-C-N 121.095 1.771 . . . . 0.0 111.381 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 59.67 -80.76 0.02 OUTLIER 'General case' 0 C--N 1.355 0.816 0 CA-C-N 120.183 1.356 . . . . 0.0 111.109 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 50.59 66.61 1.11 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.158 1.345 . . . . 0.0 108.075 -178.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -175.76 3.67 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 -54.33 -62.46 3.93 Favored Pre-proline 0 C--N 1.354 0.802 0 CA-C-O 116.376 -1.773 . . . . 0.0 110.287 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.08 -15.61 43.4 Favored 'Trans proline' 0 C--N 1.358 1.034 0 CA-C-N 123.99 2.461 . . . . 0.0 113.031 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt 76.04 114.2 0.07 Allowed 'General case' 0 C--N 1.356 0.889 0 CA-C-N 120.422 1.464 . . . . 0.0 107.467 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.16 -72.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.953 0 CA-C-N 119.643 1.111 . . . . 0.0 110.455 -171.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.4 m -63.87 -37.7 88.37 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 121.72 2.055 . . . . 0.0 108.675 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.7 tp -51.47 -38.75 21.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 CA-C-N 120.483 1.492 . . . . 0.0 110.498 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -67.58 -40.32 84.85 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.431 1.014 . . . . 0.0 108.478 -178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.43 -44.66 98.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.31 -48.39 78.28 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 118.855 0.752 . . . . 0.0 109.524 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.64 -47.39 90.42 Favored Glycine 0 C--N 1.352 1.462 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -54.18 -42.92 70.21 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.039 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.821 0 CA-C-O 118.462 -0.78 . . . . 0.0 109.77 -179.766 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.163 -0.923 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.87 -51.85 12.6 Favored Glycine 0 C--N 1.355 1.585 0 CA-C-O 118.078 -1.401 . . . . 0.0 114.01 -177.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -69.18 -58.18 4.4 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 120.007 1.903 . . . . 0.0 110.053 -176.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.06 -46.07 89.22 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.248 -169.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.65 94.45 0.96 Allowed Glycine 0 C--N 1.35 1.315 0 N-CA-C 105.302 -3.119 . . . . 0.0 105.302 171.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.255 53.2 mtp180 140.43 -34.7 0.01 OUTLIER 'General case' 0 C--N 1.359 1.017 0 CA-C-O 116.499 -1.715 . . . . 0.0 109.948 -178.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -64.49 54.59 0.02 OUTLIER 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.873 1.67 . . . . 0.0 115.446 -177.793 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.281 4.1 pp 146.67 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -174.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -66.3 -49.4 67.16 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.604 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -138.67 43.54 2.11 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 118.917 0.781 . . . . 0.0 110.899 -174.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 tt -169.01 -38.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 116.952 -1.499 . . . . 0.0 115.009 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? 72.78 -80.36 0.04 OUTLIER 'General case' 0 C--N 1.355 0.837 0 CA-C-N 120.855 1.661 . . . . 0.0 108.657 -176.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . 0.267 6.8 tpt180 104.4 -71.77 0.0 OUTLIER 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.554 173.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 177.58 173.96 0.51 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.682 -1.151 . . . . 0.0 110.132 -176.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.39 83.8 mtt-85 75.91 -138.33 0.0 OUTLIER Pre-proline 0 C--N 1.355 0.822 0 CA-C-O 112.006 -3.854 . . . . 0.0 106.094 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -83.22 55.76 5.22 Favored 'Trans proline' 0 C--N 1.363 1.31 1 CA-C-N 130.132 4.654 . . . . 0.0 110.956 -176.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -148.05 -69.77 0.23 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.851 -1.071 . . . . 0.0 108.919 -173.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.7 t 71.8 -48.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.952 0 N-CA-C 118.541 2.793 . . . . 0.0 118.541 167.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.4 m -40.48 -24.94 0.02 OUTLIER 'General case' 0 C--N 1.352 0.69 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -167.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 tt -46.35 -40.73 4.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 122.426 2.375 . . . . 0.0 110.637 176.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.1 p -65.0 -41.6 95.24 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.032 0.833 . . . . 0.0 109.447 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.75 -51.71 69.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -59.81 -45.92 90.83 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.087 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.91 -45.53 61.42 Favored Glycine 0 C--N 1.352 1.44 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.6 m -61.35 -55.84 27.1 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.779 0 CA-C-O 118.678 -0.677 . . . . 0.0 110.455 177.217 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 . . . . . 0 CA--C 1.512 -0.518 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.84 17.41 71.36 Favored Glycine 0 C--N 1.355 1.591 0 CA-C-O 117.443 -1.754 . . . . 0.0 110.235 -168.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.407 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 45.0 ttp85 33.49 51.61 0.35 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.093 1.446 . . . . 0.0 111.643 -177.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' A' ' 6' ' ' ARG . 8.6 m-85 143.51 -44.68 0.01 OUTLIER 'General case' 0 C--N 1.357 0.9 0 CA-C-O 117.425 -1.274 . . . . 0.0 107.951 -178.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' PHE . . . -26.58 -82.11 0.01 OUTLIER Glycine 0 C--N 1.356 1.666 0 CA-C-O 118.026 -1.43 . . . . 0.0 114.223 -177.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -53.16 -36.7 61.16 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.924 1.862 . . . . 0.0 111.672 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -81.87 61.23 5.11 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.702 1.137 . . . . 0.0 111.547 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.335 4.6 pp 151.77 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.357 0.933 0 O-C-N 124.418 1.074 . . . . 0.0 109.638 173.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -66.68 -38.59 87.1 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.738 -1.125 . . . . 0.0 109.396 176.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -137.21 -40.01 0.59 Allowed 'General case' 0 C--N 1.357 0.931 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -86.27 -43.9 16.45 Favored 'Isoleucine or valine' 0 C--N 1.358 0.948 0 CA-C-N 122.081 2.218 . . . . 0.0 111.201 -168.729 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.262 0.0 OUTLIER 39.54 -72.13 0.0 OUTLIER 'General case' 0 C--N 1.356 0.861 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 -176.544 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ILE . 64.9 ttt-85 62.87 45.58 5.49 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 120.07 1.305 . . . . 0.0 108.017 -174.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.412 ' CG ' ' O ' ' A' ' 16' ' ' ARG 0.25 14.2 p90 56.87 151.64 0.01 OUTLIER 'General case' 0 C--N 1.356 0.866 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 179.442 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.428 43.8 mtp85 112.92 -71.36 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.092 0 CA-C-O 115.728 -2.082 . . . . 0.0 109.28 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -79.77 -18.49 10.41 Favored 'Trans proline' 0 C--N 1.362 1.251 0 CA-C-N 125.771 3.097 . . . . 0.0 112.561 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -137.89 -57.57 0.67 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-O 116.836 -1.554 . . . . 0.0 112.754 -169.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.404 1.2 m 87.55 -22.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-N 120.174 1.352 . . . . 0.0 111.764 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 t -51.32 -24.73 4.91 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 120.508 1.504 . . . . 0.0 112.61 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 tp -44.95 -38.03 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.735 0 CA-C-N 120.095 1.316 . . . . 0.0 111.867 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 t -67.42 -48.73 66.45 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.45 -177.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.76 -32.73 59.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 CA-C-N 119.865 1.211 . . . . 0.0 108.571 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -62.56 -46.37 88.66 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 119.797 1.18 . . . . 0.0 109.474 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.76 -50.08 68.65 Favored Glycine 0 C--N 1.353 1.491 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.2 t -60.37 -40.31 90.36 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 117.588 0.694 . . . . 0.0 110.542 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.811 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.982 179.574 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 . . . . . 0 CA--C 1.51 -0.571 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.54 -47.93 85.65 Favored Glycine 0 C--N 1.352 1.432 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -45.71 -64.18 0.79 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-N 118.089 0.945 . . . . 0.0 111.068 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -76.55 -19.91 57.41 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.448 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.39 -43.52 7.6 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-O 118.628 -1.095 . . . . 0.0 111.732 176.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -64.78 0.95 Allowed 'General case' 0 C--N 1.354 0.79 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.2 t80 29.83 55.92 0.16 Allowed 'General case' 0 C--N 1.354 0.796 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.307 3.8 pp 155.22 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.357 0.919 0 O-C-N 124.435 1.084 . . . . 0.0 110.296 170.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -34.97 79.18 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.66 -1.162 . . . . 0.0 109.299 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -152.26 43.08 0.68 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.087 1.312 . . . . 0.0 113.696 -177.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 tp -159.91 -50.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.992 0 CA-C-N 120.105 1.32 . . . . 0.0 114.155 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -60.85 144.19 53.29 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 122.301 2.318 . . . . 0.0 111.489 -175.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.0 ttt-85 -93.51 116.66 29.18 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 119.63 1.105 . . . . 0.0 110.46 171.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -161.45 169.83 21.13 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.209 -1.377 . . . . 0.0 107.299 164.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -51.39 -51.96 64.02 Favored Pre-proline 0 C--N 1.35 0.629 0 CA-C-O 115.925 -1.988 . . . . 0.0 115.336 -168.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -86.02 56.94 4.02 Favored 'Trans proline' 0 C--N 1.359 1.096 0 CA-C-N 124.65 2.697 . . . . 0.0 111.824 -172.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 pttt 171.19 -47.54 0.01 OUTLIER 'General case' 0 C--N 1.356 0.857 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.197 -176.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p 32.51 76.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.84 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 174.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -141.48 -0.33 1.41 Allowed 'General case' 0 C--N 1.356 0.857 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 -173.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -35.0 73.72 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 CA-C-N 123.604 2.911 . . . . 0.0 106.142 168.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.5 p -50.82 -40.57 55.98 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 118.522 -0.752 . . . . 0.0 110.658 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.3 mm -57.48 -50.56 76.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.0 -50.88 71.6 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 118.817 -1.153 . . . . 0.0 107.974 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -45.88 -43.12 12.07 Favored Glycine 0 C--N 1.353 1.52 0 C-N-CA 120.086 -1.054 . . . . 0.0 111.34 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 m -66.0 -52.04 52.99 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 117.692 0.746 . . . . 0.0 109.612 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.839 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.56 -176.758 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.3 mp . . . . . 0 N--CA 1.47 0.568 0 CA-C-O 118.09 -0.957 . . . . 0.0 108.508 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.2 p -156.47 50.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 118.974 0.806 . . . . 0.0 109.722 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -168.95 155.2 6.63 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 118.553 -0.737 . . . . 0.0 112.032 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -114.78 168.56 9.78 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.55 -36.39 91.29 Favored Glycine 0 C--N 1.354 1.549 0 C-N-CA 119.877 -1.154 . . . . 0.0 110.939 176.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -60.42 -30.1 69.4 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-O 116.778 -1.582 . . . . 0.0 110.488 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -107.32 -0.79 22.25 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.625 1.557 . . . . 0.0 113.453 175.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.04 -18.24 34.8 Favored Glycine 0 C--N 1.355 1.637 0 CA-C-O 117.363 -1.799 . . . . 0.0 112.686 174.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -159.08 61.1 0.41 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.7 2.25 . . . . 0.0 110.184 -172.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -136.78 60.01 1.67 Allowed 'General case' 0 C--N 1.353 0.743 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.6 mt 68.1 49.02 0.89 Allowed 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 -173.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -140.93 -60.39 0.5 Allowed 'General case' 0 C--N 1.358 0.953 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.189 -175.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -117.16 40.24 3.06 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 119.38 0.991 . . . . 0.0 108.538 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.9 tt -173.5 -52.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.812 0 CA-C-O 117.312 -1.328 . . . . 0.0 110.778 -177.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 55.97 -89.46 0.02 OUTLIER 'General case' 0 C--N 1.357 0.933 0 CA-C-N 120.085 1.311 . . . . 0.0 109.795 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 49.96 57.22 6.78 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 120.142 1.337 . . . . 0.0 108.956 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -73.23 167.82 20.4 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -47.81 -57.72 9.42 Favored Pre-proline 0 C--N 1.352 0.678 0 CA-C-N 120.866 1.667 . . . . 0.0 112.459 -176.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.0 -6.36 18.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 CA-C-N 123.79 2.389 . . . . 0.0 115.047 177.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 72.14 97.78 0.07 Allowed 'General case' 0 C--N 1.356 0.858 0 CA-C-N 121.076 1.762 . . . . 0.0 109.488 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.3 t -115.57 -74.52 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.034 0 CA-C-N 119.254 0.933 . . . . 0.0 110.403 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.0 m -76.21 -33.97 59.26 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 120.264 1.393 . . . . 0.0 109.394 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 tp -49.84 -34.43 9.49 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 CA-C-N 119.828 1.195 . . . . 0.0 109.596 174.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.3 m -67.46 -40.57 85.36 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 119.183 0.901 . . . . 0.0 109.641 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.97 -48.45 86.52 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -59.16 -43.94 92.09 Favored 'General case' 0 C--N 1.352 0.706 0 C-N-CA 119.649 -0.821 . . . . 0.0 108.904 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.54 -32.94 83.08 Favored Glycine 0 C--N 1.351 1.415 0 CA-C-O 118.459 -1.189 . . . . 0.0 111.443 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.4 t -65.25 -48.14 74.3 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 119.344 1.572 . . . . 0.0 108.702 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.02 -50.11 69.79 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 119.788 -0.765 . . . . 0.0 109.969 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -49.99 74.77 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 118.663 -0.684 . . . . 0.0 109.527 -176.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 . . . . . 0 C--N 1.352 0.712 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -178.857 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 N--CA 1.472 0.627 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.7 m -69.47 -35.51 67.12 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 CA-C-O 117.516 -1.23 . . . . 0.0 109.033 175.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 73.03 -66.08 0.33 Allowed 'General case' 0 C--N 1.359 0.991 0 CA-C-N 118.813 0.733 . . . . 0.0 109.316 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -152.06 178.05 9.86 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.13 -46.9 48.33 Favored Glycine 0 C--N 1.35 1.36 0 N-CA-C 108.321 -1.912 . . . . 0.0 108.321 170.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 41.1 mtm105 -47.94 -45.5 31.14 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.506 -1.235 . . . . 0.0 110.924 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -84.59 -43.38 14.52 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 119.313 0.961 . . . . 0.0 110.156 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -40.51 113.82 0.45 Allowed Glycine 0 C--N 1.352 1.471 0 CA-C-O 118.092 -1.394 . . . . 0.0 112.659 -175.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 49.93 51.19 17.07 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 118.734 1.267 . . . . 0.0 110.929 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -152.56 56.89 0.81 Allowed 'General case' 0 C--N 1.352 0.68 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.6 pp 152.62 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.352 0.69 0 N-CA-C 105.817 -1.92 . . . . 0.0 105.817 -170.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -65.3 -48.61 72.54 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-O 116.975 -1.488 . . . . 0.0 108.099 168.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -131.08 -64.08 0.83 Allowed 'General case' 0 C--N 1.362 1.113 0 CA-C-O 116.924 -1.512 . . . . 0.0 113.508 -175.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.7 mp -53.83 -53.35 27.46 Favored 'Isoleucine or valine' 0 C--N 1.359 1.011 0 CA-C-N 121.697 2.044 . . . . 0.0 107.98 -174.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? 63.98 -84.64 0.02 OUTLIER 'General case' 0 C--N 1.35 0.615 0 CA-C-O 117.457 -1.259 . . . . 0.0 109.989 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 54.74 69.71 0.7 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.445 1.475 . . . . 0.0 110.258 176.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -138.34 163.49 31.69 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 117.464 -1.255 . . . . 0.0 108.55 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -75.06 -53.85 2.76 Favored Pre-proline 0 C--N 1.355 0.826 0 CA-C-O 116.056 -1.926 . . . . 0.0 110.645 -175.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -63.11 -35.61 63.54 Favored 'Trans proline' 0 C--N 1.361 1.2 0 CA-C-N 124.351 2.59 . . . . 0.0 113.297 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -88.45 -49.95 6.61 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 118.601 -0.714 . . . . 0.0 109.256 -173.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.264 13.4 p 42.24 46.49 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-N 118.069 0.395 . . . . 0.0 111.544 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.9 m -72.3 -30.55 64.89 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.365 -0.826 . . . . 0.0 109.179 174.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.0 tp -44.07 -34.61 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-O 118.178 -0.915 . . . . 0.0 112.635 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.1 p -65.69 -43.92 87.75 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 120.079 1.309 . . . . 0.0 109.804 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 40.0 mm -55.99 -44.08 77.18 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -60.27 -43.34 96.26 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.25 -37.19 46.83 Favored Glycine 0 C--N 1.354 1.529 0 CA-C-O 118.168 -1.351 . . . . 0.0 111.994 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -48.43 -42.49 32.46 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 119.075 1.438 . . . . 0.0 109.961 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.46 -61.96 0.14 Allowed 'General case' 0 C--N 1.354 0.784 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.653 177.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -169.86 -47.14 0.02 OUTLIER 'General case' 0 C--N 1.356 0.861 0 CA-C-O 117.925 -1.036 . . . . 0.0 112.22 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.7 p90 . . . . . 0 C--N 1.354 0.782 0 CA-C-N 120.462 1.483 . . . . 0.0 110.27 177.14 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 51.0 tp . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.9 -39.98 67.89 Favored 'Isoleucine or valine' 0 C--N 1.355 0.804 0 CA-C-O 118.276 -0.868 . . . . 0.0 109.398 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -162.22 -64.76 0.05 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-N 119.86 1.209 . . . . 0.0 110.994 177.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -156.87 157.44 34.91 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 117.368 -1.301 . . . . 0.0 109.648 -175.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -50.7 -44.81 48.21 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-N 120.02 1.282 . . . . 0.0 112.582 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.36 -54.55 23.18 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 118.785 1.292 . . . . 0.0 109.022 -178.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -69.72 -11.2 60.67 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-O 117.326 -1.321 . . . . 0.0 112.754 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.28 -22.01 79.17 Favored Glycine 0 C--N 1.352 1.454 0 CA-C-N 120.938 1.699 . . . . 0.0 111.623 173.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -70.87 -59.69 2.65 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.908 1.854 . . . . 0.0 107.963 -177.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 38.92 29.32 0.03 OUTLIER 'General case' 0 C--N 1.353 0.752 0 N-CA-C 118.372 2.73 . . . . 0.0 118.372 174.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.269 3.3 pp 155.31 -40.49 0.01 OUTLIER 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.362 1.437 . . . . 0.0 109.964 178.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.3 mtt85 -63.95 -32.19 73.64 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 117.443 -1.265 . . . . 0.0 110.247 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -140.38 -59.93 0.52 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 119.64 1.109 . . . . 0.0 111.754 -177.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 16' ' ' ARG . 4.4 tp -58.79 -45.42 91.35 Favored 'Isoleucine or valine' 0 C--N 1.358 0.945 0 CA-C-N 119.794 1.179 . . . . 0.0 109.266 -174.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 47.4 -77.6 0.0 OUTLIER 'General case' 0 C--N 1.356 0.886 0 CA-C-O 117.372 -1.299 . . . . 0.0 114.064 175.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' ILE . 37.3 ptt180 49.02 63.13 2.26 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 121.032 1.742 . . . . 0.0 111.836 176.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -125.61 162.1 25.73 Favored 'General case' 0 C--N 1.359 1.004 0 CA-C-N 117.948 0.34 . . . . 0.0 110.627 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -60.87 -56.58 33.63 Favored Pre-proline 0 C--N 1.356 0.883 0 CA-C-O 115.81 -2.043 . . . . 0.0 112.708 -174.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -66.58 -33.04 37.6 Favored 'Trans proline' 0 C--N 1.358 1.054 0 CA-C-N 125.128 2.867 . . . . 0.0 114.292 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -77.79 -59.16 2.89 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-N 121.206 1.821 . . . . 0.0 110.109 -174.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t 54.81 33.75 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 118.673 0.669 . . . . 0.0 109.978 -173.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 t -73.98 -30.99 62.79 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.6 tp -44.69 -34.72 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-O 118.01 -0.995 . . . . 0.0 112.006 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.7 p -67.21 -47.54 70.54 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 120.013 1.279 . . . . 0.0 110.064 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.2 tt -72.21 -42.71 66.5 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 CA-C-N 120.355 1.434 . . . . 0.0 109.275 -178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -61.21 -47.2 87.21 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 119.265 0.939 . . . . 0.0 109.167 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.52 -61.95 6.52 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 109.006 -1.637 . . . . 0.0 109.006 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.3 p -53.24 -35.82 60.39 Favored 'General case' 0 C--N 1.351 0.666 0 CA-C-N 118.145 0.973 . . . . 0.0 111.402 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.81 -54.32 33.03 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.844 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -112.61 -61.92 1.66 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.129 -0.939 . . . . 0.0 108.972 -175.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.9 t80 . . . . . 0 C--N 1.355 0.815 0 CA-C-N 119.173 0.897 . . . . 0.0 109.596 -178.27 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.1 tm? . . . . . 0 N--CA 1.47 0.564 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.6 p -162.26 -47.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 117.362 -1.304 . . . . 0.0 113.448 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -59.59 125.71 24.73 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 121.469 1.941 . . . . 0.0 108.392 -175.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -170.09 156.33 5.91 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 116.653 -1.642 . . . . 0.0 107.539 -174.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -42.63 -34.85 1.88 Allowed Glycine 0 C--N 1.351 1.395 0 CA-C-N 121.284 1.856 . . . . 0.0 114.116 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -72.4 -54.17 10.15 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 119.568 1.684 . . . . 0.0 109.081 -178.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -64.86 -38.95 92.68 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.625 -176.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.0 61.1 4.83 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 109.163 -1.575 . . . . 0.0 109.163 175.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.3 ttt-85 178.92 -58.2 0.01 OUTLIER 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.202 1.001 . . . . 0.0 109.616 -178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -85.58 64.13 8.46 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -174.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.9 pp 156.84 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.757 1.286 . . . . 0.0 107.976 -175.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -82.15 -54.08 5.56 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 119.652 1.115 . . . . 0.0 110.02 174.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -94.65 -57.96 2.32 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 117.741 -1.123 . . . . 0.0 112.162 -167.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -84.33 -25.18 7.31 Favored 'Isoleucine or valine' 0 C--N 1.354 0.778 0 CA-C-N 119.438 1.017 . . . . 0.0 110.388 -173.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -125.62 68.09 1.16 Allowed 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 -174.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -43.13 -51.41 5.94 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.627 -1.178 . . . . 0.0 111.924 178.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -126.5 158.38 36.24 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.941 -172.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.348 0.1 OUTLIER -32.44 -71.84 0.08 OUTLIER Pre-proline 0 C--N 1.357 0.919 0 CA-C-O 116.348 -1.787 . . . . 0.0 114.394 -170.586 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -86.67 51.17 2.44 Favored 'Trans proline' 0 C--N 1.359 1.106 0 CA-C-N 124.695 2.712 . . . . 0.0 112.648 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.3 pttt 34.77 65.48 0.35 Allowed 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.061 0.846 . . . . 0.0 113.073 173.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.7 p -134.56 -45.18 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.957 0 CA-C-O 117.997 -1.001 . . . . 0.0 112.966 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 m -52.16 -34.6 45.66 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-N 120.897 1.68 . . . . 0.0 108.637 174.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.0 tp -42.8 -34.86 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.773 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 67.5 p -71.1 -42.18 69.63 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 119.831 1.196 . . . . 0.0 110.444 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.8 pt -78.76 -36.22 19.12 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 CA-C-N 119.806 1.185 . . . . 0.0 111.606 -175.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -51.3 -33.31 28.4 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.057 1.299 . . . . 0.0 111.366 -174.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.89 -56.97 18.08 Favored Glycine 0 C--N 1.355 1.61 0 C-N-CA 119.759 -1.21 . . . . 0.0 110.184 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.0 m -78.28 -58.01 3.48 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 118.098 0.949 . . . . 0.0 108.686 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 65.32 -69.36 0.1 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-O 118.136 -0.935 . . . . 0.0 112.549 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.3 mtt85 54.47 55.03 8.52 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -174.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 63.6 t80 . . . . . 0 C--N 1.355 0.838 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 -176.178 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 59.2 tp . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 87.5 t -107.77 -58.86 3.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 CA-C-O 118.61 -0.709 . . . . 0.0 109.498 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -168.94 -56.62 0.02 OUTLIER 'General case' 0 C--N 1.355 0.835 0 CA-C-N 118.888 0.767 . . . . 0.0 110.563 -172.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -132.63 166.37 22.3 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.3 -40.81 94.51 Favored Glycine 0 C--N 1.355 1.585 0 N-CA-C 109.256 -1.537 . . . . 0.0 109.256 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -53.92 -52.28 61.08 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 118.816 -0.612 . . . . 0.0 109.921 176.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -88.25 -1.68 58.16 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-O 117.329 -1.32 . . . . 0.0 113.224 -172.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -73.32 -78.01 0.57 Allowed Glycine 0 C--N 1.355 1.587 0 N-CA-C 107.038 -2.425 . . . . 0.0 107.038 174.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.0 ptt180 -40.11 -68.19 0.19 Allowed 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.062 -0.971 . . . . 0.0 112.485 178.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.6 t80 38.51 34.43 0.08 Allowed 'General case' 0 C--N 1.353 0.717 0 N-CA-C 117.541 2.423 . . . . 0.0 117.541 169.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.294 3.8 pp 149.9 -41.5 0.01 OUTLIER 'General case' 0 C--N 1.355 0.812 0 CA-C-N 119.397 0.999 . . . . 0.0 108.615 178.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -68.26 -34.62 76.54 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-O 117.496 -1.24 . . . . 0.0 110.365 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -137.32 24.49 2.96 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 117.369 -1.3 . . . . 0.0 113.15 -174.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.3 tt -156.73 -55.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.879 0 CA-C-N 120.64 1.564 . . . . 0.0 111.316 177.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 6.8 tpm_? 60.92 -73.94 0.03 OUTLIER 'General case' 0 C--N 1.355 0.821 0 CA-C-N 120.023 1.283 . . . . 0.0 113.531 171.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.0 ttt-85 53.39 54.28 10.39 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 120.362 1.437 . . . . 0.0 109.496 177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.23 170.81 12.26 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 176.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -51.82 -65.18 1.06 Allowed Pre-proline 0 C--N 1.356 0.855 0 CA-C-O 116.351 -1.785 . . . . 0.0 110.217 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -63.33 -17.73 61.43 Favored 'Trans proline' 0 C--N 1.36 1.172 0 CA-C-N 124.469 2.632 . . . . 0.0 112.964 176.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? 86.64 128.63 0.04 OUTLIER 'General case' 0 C--N 1.357 0.913 0 CA-C-O 117.084 -1.436 . . . . 0.0 107.255 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.6 t -135.62 -66.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.004 0 CA-C-N 119.745 1.157 . . . . 0.0 110.361 -172.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.6 p -87.81 -45.32 10.42 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 120.629 1.559 . . . . 0.0 109.107 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 tp -37.54 -39.66 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.824 0 CA-C-N 119.732 1.151 . . . . 0.0 112.184 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 t -68.28 -44.27 75.91 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 119.894 1.225 . . . . 0.0 110.389 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.1 pp -68.58 -30.51 47.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 CA-C-N 119.934 1.243 . . . . 0.0 108.869 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -58.99 -47.47 85.04 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.36 -49.78 74.87 Favored Glycine 0 C--N 1.353 1.483 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 m -54.91 -36.25 65.0 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 118.021 0.91 . . . . 0.0 110.867 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 74.22 -70.28 0.16 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.837 -1.077 . . . . 0.0 108.865 -177.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -145.08 -67.35 0.31 Allowed 'General case' 0 C--N 1.355 0.837 0 CA-C-N 119.703 1.138 . . . . 0.0 110.9 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.4 t80 . . . . . 0 C--N 1.355 0.81 0 CA-C-N 119.455 1.025 . . . . 0.0 109.403 -175.13 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 N--CA 1.471 0.606 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.1 m -136.14 39.39 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-N 119.324 0.965 . . . . 0.0 109.296 177.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -90.35 73.74 7.01 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 105.075 -2.194 . . . . 0.0 105.075 176.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -88.65 67.26 8.38 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 104.624 -2.362 . . . . 0.0 104.624 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 62.14 37.3 94.27 Favored Glycine 0 C--N 1.352 1.447 0 N-CA-C 108.573 -1.811 . . . . 0.0 108.573 -166.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 52.05 17.37 0.67 Allowed 'General case' 0 C--N 1.357 0.894 0 CA-C-O 117.869 -1.062 . . . . 0.0 112.892 -176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.501 ' CD1' ' N ' ' A' ' 8' ' ' GLY . 45.1 p90 157.38 -48.27 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 -172.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.501 ' N ' ' CD1' ' A' ' 7' ' ' PHE . . . 75.6 -69.62 2.04 Favored Glycine 0 C--N 1.356 1.641 0 CA-C-O 118.508 -1.162 . . . . 0.0 111.05 179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -104.5 -47.11 4.19 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 118.1 0.95 . . . . 0.0 112.52 -175.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.491 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 48.0 t80 64.12 10.67 5.63 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.29 3.1 pp 159.48 -39.37 0.0 OUTLIER 'General case' 0 C--N 1.354 0.78 0 CA-C-N 121.476 1.944 . . . . 0.0 110.104 177.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -54.77 -36.88 65.34 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 117.313 -1.327 . . . . 0.0 109.467 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -146.79 31.85 0.95 Allowed 'General case' 0 C--N 1.359 0.989 0 CA-C-N 119.967 1.258 . . . . 0.0 112.948 -176.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.8 tt -161.55 -58.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.95 0 CA-C-N 121.095 1.771 . . . . 0.0 111.381 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 59.67 -80.76 0.02 OUTLIER 'General case' 0 C--N 1.355 0.816 0 CA-C-N 120.183 1.356 . . . . 0.0 111.109 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 50.59 66.61 1.11 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.158 1.345 . . . . 0.0 108.075 -178.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -175.76 3.67 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 -54.33 -62.46 3.93 Favored Pre-proline 0 C--N 1.354 0.802 0 CA-C-O 116.376 -1.773 . . . . 0.0 110.287 177.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.08 -15.61 43.4 Favored 'Trans proline' 0 C--N 1.358 1.034 0 CA-C-N 123.99 2.461 . . . . 0.0 113.031 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt 76.04 114.2 0.07 Allowed 'General case' 0 C--N 1.356 0.889 0 CA-C-N 120.422 1.464 . . . . 0.0 107.467 -178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.16 -72.85 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.358 0.953 0 CA-C-N 119.643 1.111 . . . . 0.0 110.455 -171.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.4 m -63.87 -37.7 88.37 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 121.72 2.055 . . . . 0.0 108.675 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.7 tp -51.47 -38.75 21.13 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 CA-C-N 120.483 1.492 . . . . 0.0 110.498 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 58.4 p -67.58 -40.32 84.85 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-N 119.431 1.014 . . . . 0.0 108.478 -178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.43 -44.66 98.99 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -63.31 -48.39 78.28 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 118.855 0.752 . . . . 0.0 109.524 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.64 -47.39 90.42 Favored Glycine 0 C--N 1.352 1.462 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -54.18 -42.92 70.21 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.119 -0.943 . . . . 0.0 109.039 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 73.81 -63.69 0.42 Allowed 'General case' 0 C--N 1.355 0.821 0 CA-C-O 118.462 -0.78 . . . . 0.0 109.77 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.9 ttt-85 -151.27 -60.15 0.17 Allowed 'General case' 0 C--N 1.355 0.805 0 CA-C-N 119.158 0.89 . . . . 0.0 110.027 178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 . . . . . 0 C--N 1.355 0.831 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 172.433 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 48.9 tp . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.9 m -79.61 -31.16 13.84 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 CA-C-O 117.519 -1.229 . . . . 0.0 109.578 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -156.31 -46.41 0.07 Allowed 'General case' 0 C--N 1.358 0.946 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -154.92 160.16 40.96 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 121.744 2.065 . . . . 0.0 110.944 -171.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -46.87 -51.85 12.6 Favored Glycine 0 C--N 1.355 1.585 0 CA-C-O 118.078 -1.401 . . . . 0.0 114.01 -177.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -69.18 -58.18 4.4 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 120.007 1.903 . . . . 0.0 110.053 -176.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.06 -46.07 89.22 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 119.891 -0.724 . . . . 0.0 109.248 -169.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.65 94.45 0.96 Allowed Glycine 0 C--N 1.35 1.315 0 N-CA-C 105.302 -3.119 . . . . 0.0 105.302 171.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.255 53.2 mtp180 140.43 -34.7 0.01 OUTLIER 'General case' 0 C--N 1.359 1.017 0 CA-C-O 116.499 -1.715 . . . . 0.0 109.948 -178.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.465 ' O ' ' CG ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -64.49 54.59 0.02 OUTLIER 'General case' 0 C--N 1.357 0.924 0 CA-C-N 120.873 1.67 . . . . 0.0 115.446 -177.793 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.281 4.1 pp 146.67 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -174.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -66.3 -49.4 67.16 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.604 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -138.67 43.54 2.11 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-N 118.917 0.781 . . . . 0.0 110.899 -174.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.1 tt -169.01 -38.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 116.952 -1.499 . . . . 0.0 115.009 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? 72.78 -80.36 0.04 OUTLIER 'General case' 0 C--N 1.355 0.837 0 CA-C-N 120.855 1.661 . . . . 0.0 108.657 -176.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . 0.267 6.8 tpt180 104.4 -71.77 0.0 OUTLIER 'General case' 0 C--N 1.353 0.72 0 CA-C-O 118.412 -0.804 . . . . 0.0 111.554 173.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 177.58 173.96 0.51 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.682 -1.151 . . . . 0.0 110.132 -176.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.39 83.8 mtt-85 75.91 -138.33 0.0 OUTLIER Pre-proline 0 C--N 1.355 0.822 0 CA-C-O 112.006 -3.854 . . . . 0.0 106.094 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -83.22 55.76 5.22 Favored 'Trans proline' 0 C--N 1.363 1.31 1 CA-C-N 130.132 4.654 . . . . 0.0 110.956 -176.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -148.05 -69.77 0.23 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.851 -1.071 . . . . 0.0 108.919 -173.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 97.7 t 71.8 -48.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.952 0 N-CA-C 118.541 2.793 . . . . 0.0 118.541 167.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.4 m -40.48 -24.94 0.02 OUTLIER 'General case' 0 C--N 1.352 0.69 0 N-CA-C 117.107 2.262 . . . . 0.0 117.107 -167.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 tt -46.35 -40.73 4.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 122.426 2.375 . . . . 0.0 110.637 176.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 44.1 p -65.0 -41.6 95.24 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 119.032 0.833 . . . . 0.0 109.447 -176.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.75 -51.71 69.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -59.81 -45.92 90.83 Favored 'General case' 0 C--N 1.351 0.661 0 C-N-CA 119.656 -0.818 . . . . 0.0 109.087 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.91 -45.53 61.42 Favored Glycine 0 C--N 1.352 1.44 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.6 m -61.35 -55.84 27.1 Favored 'General case' 0 C--N 1.353 0.738 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -173.89 -65.43 0.01 OUTLIER 'General case' 0 C--N 1.354 0.779 0 CA-C-O 118.678 -0.677 . . . . 0.0 110.455 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.03 -51.67 0.01 OUTLIER 'General case' 0 C--N 1.357 0.899 0 CA-C-N 118.881 0.764 . . . . 0.0 111.301 -174.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--N 1.354 0.802 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 176.78 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.1 t -69.93 -46.91 72.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 174.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -146.97 164.66 32.25 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 117.842 -1.075 . . . . 0.0 108.948 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -128.28 75.65 1.64 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 -172.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.84 17.41 71.36 Favored Glycine 0 C--N 1.355 1.591 0 CA-C-O 117.443 -1.754 . . . . 0.0 110.235 -168.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.407 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 45.0 ttp85 33.49 51.61 0.35 Allowed 'General case' 0 C--N 1.357 0.902 0 CA-C-N 119.093 1.446 . . . . 0.0 111.643 -177.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' A' ' 6' ' ' ARG . 8.6 m-85 143.51 -44.68 0.01 OUTLIER 'General case' 0 C--N 1.357 0.9 0 CA-C-O 117.425 -1.274 . . . . 0.0 107.951 -178.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' PHE . . . -26.58 -82.11 0.01 OUTLIER Glycine 0 C--N 1.356 1.666 0 CA-C-O 118.026 -1.43 . . . . 0.0 114.223 -177.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.5 mtt-85 -53.16 -36.7 61.16 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 119.924 1.862 . . . . 0.0 111.672 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -81.87 61.23 5.11 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 119.702 1.137 . . . . 0.0 111.547 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.335 4.6 pp 151.77 -36.18 0.01 OUTLIER 'General case' 0 C--N 1.357 0.933 0 O-C-N 124.418 1.074 . . . . 0.0 109.638 173.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -66.68 -38.59 87.1 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 117.738 -1.125 . . . . 0.0 109.396 176.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -137.21 -40.01 0.59 Allowed 'General case' 0 C--N 1.357 0.931 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 177.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' A' ' 16' ' ' ARG . 1.0 OUTLIER -86.27 -43.9 16.45 Favored 'Isoleucine or valine' 0 C--N 1.358 0.948 0 CA-C-N 122.081 2.218 . . . . 0.0 111.201 -168.729 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . 0.262 0.0 OUTLIER 39.54 -72.13 0.0 OUTLIER 'General case' 0 C--N 1.356 0.861 0 N-CA-C 115.69 1.737 . . . . 0.0 115.69 -176.544 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.524 ' N ' ' O ' ' A' ' 14' ' ' ILE . 64.9 ttt-85 62.87 45.58 5.49 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 120.07 1.305 . . . . 0.0 108.017 -174.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.412 ' CG ' ' O ' ' A' ' 16' ' ' ARG 0.25 14.2 p90 56.87 151.64 0.01 OUTLIER 'General case' 0 C--N 1.356 0.866 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 179.442 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . 0.428 43.8 mtp85 112.92 -71.36 0.0 OUTLIER Pre-proline 0 C--N 1.361 1.092 0 CA-C-O 115.728 -2.082 . . . . 0.0 109.28 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -79.77 -18.49 10.41 Favored 'Trans proline' 0 C--N 1.362 1.251 0 CA-C-N 125.771 3.097 . . . . 0.0 112.561 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -137.89 -57.57 0.67 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-O 116.836 -1.554 . . . . 0.0 112.754 -169.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . 0.404 1.2 m 87.55 -22.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.828 0 CA-C-N 120.174 1.352 . . . . 0.0 111.764 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 t -51.32 -24.73 4.91 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-N 120.508 1.504 . . . . 0.0 112.61 178.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.8 tp -44.95 -38.03 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.735 0 CA-C-N 120.095 1.316 . . . . 0.0 111.867 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 t -67.42 -48.73 66.45 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.45 -177.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.1 tp -66.76 -32.73 59.32 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 CA-C-N 119.865 1.211 . . . . 0.0 108.571 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -62.56 -46.37 88.66 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 119.797 1.18 . . . . 0.0 109.474 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.76 -50.08 68.65 Favored Glycine 0 C--N 1.353 1.491 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.2 t -60.37 -40.31 90.36 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 117.588 0.694 . . . . 0.0 110.542 178.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.73 -30.93 64.03 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.982 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 62.06 60.08 1.56 Allowed 'General case' 0 C--N 1.356 0.854 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.8 t80 . . . . . 0 C--N 1.356 0.854 0 C-N-CA 120.545 -0.462 . . . . 0.0 110.15 -174.236 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 99.2 mt . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 118.027 -0.987 . . . . 0.0 109.695 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.6 m -94.74 -48.03 13.08 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 CA-C-N 119.734 1.152 . . . . 0.0 109.609 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -166.93 156.23 10.69 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-O 117.166 -1.397 . . . . 0.0 109.202 -175.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -124.47 177.25 6.01 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 119.924 1.238 . . . . 0.0 108.227 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.54 -47.93 85.65 Favored Glycine 0 C--N 1.352 1.432 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -45.71 -64.18 0.79 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-N 118.089 0.945 . . . . 0.0 111.068 -178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -76.55 -19.91 57.41 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.448 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -44.39 -43.52 7.6 Favored Glycine 0 C--N 1.355 1.596 0 CA-C-O 118.628 -1.095 . . . . 0.0 111.732 176.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -64.78 0.95 Allowed 'General case' 0 C--N 1.354 0.79 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 57.2 t80 29.83 55.92 0.16 Allowed 'General case' 0 C--N 1.354 0.796 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.307 3.8 pp 155.22 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.357 0.919 0 O-C-N 124.435 1.084 . . . . 0.0 110.296 170.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.96 -34.97 79.18 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.66 -1.162 . . . . 0.0 109.299 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 ptmm? -152.26 43.08 0.68 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-N 120.087 1.312 . . . . 0.0 113.696 -177.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 8.5 tp -159.91 -50.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 0.992 0 CA-C-N 120.105 1.32 . . . . 0.0 114.155 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -60.85 144.19 53.29 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 122.301 2.318 . . . . 0.0 111.489 -175.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.0 ttt-85 -93.51 116.66 29.18 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 119.63 1.105 . . . . 0.0 110.46 171.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -161.45 169.83 21.13 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-O 117.209 -1.377 . . . . 0.0 107.299 164.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.8 ttt85 -51.39 -51.96 64.02 Favored Pre-proline 0 C--N 1.35 0.629 0 CA-C-O 115.925 -1.988 . . . . 0.0 115.336 -168.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -86.02 56.94 4.02 Favored 'Trans proline' 0 C--N 1.359 1.096 0 CA-C-N 124.65 2.697 . . . . 0.0 111.824 -172.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.0 pttt 171.19 -47.54 0.01 OUTLIER 'General case' 0 C--N 1.356 0.857 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.197 -176.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p 32.51 76.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.84 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 174.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -141.48 -0.33 1.41 Allowed 'General case' 0 C--N 1.356 0.857 0 N-CA-C 116.583 2.068 . . . . 0.0 116.583 -173.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -66.73 -35.0 73.72 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 CA-C-N 123.604 2.911 . . . . 0.0 106.142 168.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.5 p -50.82 -40.57 55.98 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-O 118.522 -0.752 . . . . 0.0 110.658 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.3 mm -57.48 -50.56 76.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.0 -50.88 71.6 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 118.817 -1.153 . . . . 0.0 107.974 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -45.88 -43.12 12.07 Favored Glycine 0 C--N 1.353 1.52 0 C-N-CA 120.086 -1.054 . . . . 0.0 111.34 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 m -66.0 -52.04 52.99 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 117.692 0.746 . . . . 0.0 109.612 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.53 -72.15 0.44 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.56 -176.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 54.02 56.08 7.52 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 118.959 0.8 . . . . 0.0 109.445 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.8 p90 . . . . . 0 C--N 1.354 0.785 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 172.802 . . . . . . . . 0 0 . 1 stop_ save_