data_2kca_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 2kca _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 ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 CA--C 1.505 -0.783 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 m -96.88 114.67 34.39 Favored 'Isoleucine or valine' 0 C--N 1.367 1.359 0 CA-C-O 125.461 2.553 . . . . 0.0 104.514 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.5 pt -132.43 158.5 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 112.323 -2.217 . . . . 0.0 107.836 -171.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.9 m -116.68 122.56 44.9 Favored 'General case' 0 C--N 1.365 1.268 0 CA-C-O 122.71 1.243 . . . . 0.0 110.633 -174.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -94.58 123.66 38.15 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 126.965 2.106 . . . . 0.0 109.96 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -135.15 173.05 12.15 Favored 'General case' 0 C--N 1.375 1.713 0 CA-C-O 122.615 1.198 . . . . 0.0 107.879 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.1 m -122.89 137.8 54.84 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 126.265 1.826 . . . . 0.0 111.805 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 18.2 t80 . . . . . 0 C--N 1.352 0.706 1 N-CA-C 100.023 -4.066 . . . . 0.0 100.023 167.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 85.6 m95 . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 120.57 0.224 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.37 160.74 17.11 Favored 'Isoleucine or valine' 0 C--N 1.368 1.387 0 C-N-CA 125.571 1.549 . . . . 0.0 107.613 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -103.63 139.57 38.74 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 126.065 1.746 . . . . 0.0 109.885 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -99.3 -60.71 1.48 Allowed 'General case' 0 C--N 1.367 1.345 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -173.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -164.83 172.81 12.46 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 p -129.98 133.46 46.8 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 104.306 -2.479 . . . . 0.0 104.306 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.94 164.16 35.36 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-O 123.344 1.545 . . . . 0.0 114.771 -176.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.22 112.7 24.32 Favored 'General case' 0 C--N 1.37 1.497 0 N-CA-C 102.869 -3.011 . . . . 0.0 102.869 167.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -157.23 169.26 25.16 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.562 -166.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -134.33 111.01 9.86 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.441 ' HA ' ' HB ' ' A' ' 94' ' ' ILE . 15.4 t -111.02 125.45 68.36 Favored 'Isoleucine or valine' 0 C--N 1.363 1.178 0 N-CA-C 101.259 -3.608 . . . . 0.0 101.259 171.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -133.51 138.74 31.91 Favored Pre-proline 0 C--N 1.364 1.199 0 CA-C-O 116.99 -1.481 . . . . 0.0 109.007 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.87 155.02 58.43 Favored 'Trans proline' 0 C--N 1.371 1.758 0 C-N-CA 124.953 3.769 . . . . 0.0 112.901 171.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.3 tt . . . . . 0 C--N 1.362 1.143 0 N-CA-C 117.812 2.523 . . . . 0.0 117.812 -178.793 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.89 0 CA-C-O 122.84 1.245 . . . . 0.0 112.402 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -127.01 147.97 50.12 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 123.702 1.715 . . . . 0.0 109.958 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -124.09 130.89 53.31 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 111.562 -2.563 . . . . 0.0 107.609 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -143.11 147.24 20.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 O-C-N 119.795 -1.816 . . . . 0.0 111.748 -179.4 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -128.56 132.34 48.24 Favored 'General case' 0 C--N 1.369 1.443 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 169.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.7 m -139.01 143.1 35.64 Favored Pre-proline 0 C--N 1.359 1.012 0 N-CA-C 103.006 -2.961 . . . . 0.0 103.006 173.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.25 124.38 10.82 Favored 'Trans proline' 0 C--N 1.373 1.863 0 CA-C-N 125.854 3.126 . . . . 0.0 108.725 175.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.372 2.5 t80 32.12 19.35 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.975 1 C-N-CA 133.915 4.886 . . . . 0.0 120.765 -170.533 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -98.02 125.99 43.23 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 119.032 -2.292 . . . . 0.0 108.584 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -112.75 13.37 19.79 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 126.359 1.864 . . . . 0.0 112.454 -174.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -102.04 -2.77 28.86 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 117.762 2.504 . . . . 0.0 117.762 -170.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.507 ' CD1' ' H ' ' A' ' 102' ' ' ILE . 3.2 mp -63.24 -69.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.733 0 C-N-CA 128.368 2.667 . . . . 0.0 114.495 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -106.57 111.35 23.87 Favored 'General case' 0 C--N 1.363 1.184 0 O-C-N 121.358 -0.839 . . . . 0.0 109.908 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.0 tptm 178.02 42.88 0.0 OUTLIER 'General case' 0 C--N 1.35 0.605 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.25 7.0 tmtm? 79.46 80.03 0.05 Allowed 'General case' 0 C--N 1.367 1.341 0 C-N-CA 127.996 2.518 . . . . 0.0 110.714 -175.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.8 mmt -147.77 173.24 12.99 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.615 -1.303 . . . . 0.0 108.542 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -138.88 98.37 3.53 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 104.826 -2.287 . . . . 0.0 104.826 176.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 m -108.13 158.84 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.72 0 O-C-N 116.825 -3.672 . . . . 0.0 112.024 -169.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.1 tt -117.18 107.19 21.68 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-O 123.681 1.705 . . . . 0.0 108.989 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.445 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 3.6 p90 -112.79 128.27 56.39 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.096 1.758 . . . . 0.0 108.043 175.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 46.1 32.19 1.35 Allowed 'General case' 0 C--N 1.367 1.338 0 C-N-CA 128.823 2.849 . . . . 0.0 118.063 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.6 0.2 73.03 Favored Glycine 0 C--N 1.359 1.842 0 C-N-CA 126.377 1.941 . . . . 0.0 116.471 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -106.09 124.91 50.32 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-N 119.9 1.85 . . . . 0.0 111.548 -176.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.56 117.33 42.09 Favored 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 125.028 1.331 . . . . 0.0 109.337 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.7 p -131.2 153.69 39.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 O-C-N 120.587 -1.321 . . . . 0.0 111.315 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.8 t -117.01 136.1 53.2 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 128.138 2.575 . . . . 0.0 107.848 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -168.89 153.05 5.55 Favored 'General case' 0 C--N 1.361 1.097 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -174.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.96 143.3 35.01 Favored 'Isoleucine or valine' 0 C--N 1.367 1.332 0 C-N-CA 125.601 1.56 . . . . 0.0 107.091 176.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.85 -162.93 13.73 Favored Glycine 0 C--N 1.365 2.192 0 O-C-N 119.835 -1.791 . . . . 0.0 114.033 -174.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -146.26 126.6 7.03 Favored Pre-proline 0 C--N 1.37 1.458 0 C-N-CA 125.659 1.584 . . . . 0.0 110.664 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -87.61 147.51 7.26 Favored 'Trans proline' 0 C--N 1.363 1.336 0 C-N-CA 124.468 3.445 . . . . 0.0 113.655 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.05 142.05 44.55 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 127.151 2.181 . . . . 0.0 105.885 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 . . . . . 0 C--N 1.364 1.212 0 O-C-N 118.47 -2.644 . . . . 0.0 108.77 175.72 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 CA--C 1.514 -0.42 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.4 mt -109.7 140.61 27.88 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 O-C-N 120.634 -1.291 . . . . 0.0 111.867 -176.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 51.7 m -108.28 135.19 50.02 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 128.282 2.633 . . . . 0.0 105.763 170.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -119.01 123.28 44.16 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 105.831 -1.915 . . . . 0.0 105.831 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--N 1.356 0.891 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 -174.516 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 . . . . . 0 CA--C 1.517 -0.293 0 N-CA-C 103.371 -2.825 . . . . 0.0 103.371 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -96.6 115.35 35.81 Favored 'Isoleucine or valine' 0 C--N 1.365 1.262 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.7 mm -111.92 140.73 30.09 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 C-N-CA 126.645 1.978 . . . . 0.0 106.922 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.7 m -105.54 120.71 42.32 Favored 'General case' 0 C--N 1.369 1.416 0 CA-C-N 119.352 0.978 . . . . 0.0 110.806 -174.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.448 ' CZ ' HG23 ' A' ' 102' ' ' ILE . 93.2 m-85 -112.79 135.71 53.23 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 116.582 2.067 . . . . 0.0 116.582 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -121.19 154.49 36.17 Favored 'General case' 0 C--N 1.384 2.102 0 C-N-CA 128.114 2.566 . . . . 0.0 112.653 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.8 p -123.81 162.3 23.5 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 124.738 1.215 . . . . 0.0 110.523 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.362 1.123 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 179.115 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.6 m95 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.0 m -133.8 161.8 40.45 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -72.59 122.59 21.62 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.386 2.275 . . . . 0.0 113.611 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -84.42 -45.11 13.05 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 129.136 2.974 . . . . 0.0 110.021 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 4.7 p90 -171.79 176.85 3.52 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.4 m -141.4 132.37 26.07 Favored 'General case' 0 CA--C 1.497 -1.062 1 N-CA-C 99.221 -4.363 . . . . 0.0 99.221 172.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.56 163.18 36.61 Favored 'General case' 0 CA--C 1.5 -0.967 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.73 113.38 20.35 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 125.321 1.448 . . . . 0.0 108.085 175.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -165.08 170.44 15.05 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.271 -167.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -119.63 107.73 13.61 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 102.043 -3.317 . . . . 0.0 102.043 171.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.6 t -126.96 98.82 4.96 Favored 'Isoleucine or valine' 0 C--N 1.361 1.084 1 N-CA-C 99.209 -4.367 . . . . 0.0 99.209 -175.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.68 163.02 53.73 Favored Pre-proline 0 C--N 1.379 1.849 0 C-N-CA 125.521 1.528 . . . . 0.0 111.246 -172.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -71.54 145.9 48.29 Favored 'Trans proline' 0 C--N 1.374 1.882 1 C-N-CA 125.593 4.196 . . . . 0.0 110.568 171.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 pt . . . . . 0 N--CA 1.493 1.715 1 N-CA-C 122.722 4.341 . . . . 0.0 122.722 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.484 -1.871 0 CA-C-O 121.587 0.548 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -122.2 143.58 49.49 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 122.919 1.342 . . . . 0.0 108.468 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -127.53 120.92 29.35 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 127.471 2.308 . . . . 0.0 105.338 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.27 145.98 17.47 Favored 'Isoleucine or valine' 0 C--N 1.35 0.61 0 CA-C-O 122.458 1.123 . . . . 0.0 113.227 -170.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.309 0.9 OUTLIER -131.72 132.76 44.14 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 126.141 1.776 . . . . 0.0 107.47 166.439 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.0 t -139.55 146.04 46.27 Favored Pre-proline 0 C--N 1.371 1.512 0 N-CA-C 104.103 -2.555 . . . . 0.0 104.103 174.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.81 126.94 11.11 Favored 'Trans proline' 0 C--N 1.364 1.373 0 C-N-CA 124.999 3.799 . . . . 0.0 110.232 -178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.364 1.0 OUTLIER 46.46 -5.76 0.0 OUTLIER 'General case' 0 C--N 1.359 0.992 1 C-N-CA 132.344 4.257 . . . . 0.0 121.553 -175.789 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.77 125.96 35.12 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 119.308 -2.12 . . . . 0.0 112.656 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -110.92 24.82 12.46 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 127.317 2.247 . . . . 0.0 108.736 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.45 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 92.9 mtt180 -102.38 -12.35 17.96 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 117.588 2.44 . . . . 0.0 117.588 -171.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.52 HG12 ' H ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -47.41 -72.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.368 1.412 1 C-N-CA 132.22 4.208 . . . . 0.0 119.399 -177.693 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.52 ' H ' HG12 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -104.95 165.22 11.22 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 128.187 2.595 . . . . 0.0 109.666 179.066 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 118' ' ' ILE 0.339 47.2 tttm 103.0 77.23 0.0 OUTLIER 'General case' 0 C--N 1.372 1.545 0 C-N-CA 127.612 2.365 . . . . 0.0 111.796 176.068 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.9 tttt 81.23 21.71 0.36 Allowed 'General case' 0 C--N 1.371 1.509 0 C-N-CA 127.273 2.229 . . . . 0.0 110.032 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 24.7 mmt -109.47 165.78 11.39 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 120.637 -1.29 . . . . 0.0 112.385 -171.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -127.92 129.26 46.55 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.385 2.274 . . . . 0.0 105.159 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.484 HG11 ' CZ ' ' A' ' 117' ' ' PHE . 6.1 p -136.5 151.74 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-O 122.563 1.173 . . . . 0.0 110.021 -172.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.417 HG21 ' H ' ' A' ' 112' ' ' GLY . 4.1 mp -120.11 107.41 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 CA-C-N 112.819 -1.991 . . . . 0.0 107.005 174.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.11 101.56 13.32 Favored 'General case' 0 C--N 1.382 1.993 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 169.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 52.1 34.4 14.07 Favored 'General case' 0 C--N 1.367 1.361 0 N-CA-C 118.052 2.612 . . . . 0.0 118.052 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.417 ' H ' HG21 ' A' ' 109' ' ' ILE . . . 93.01 11.25 58.99 Favored Glycine 0 C--N 1.36 1.913 0 C-N-CA 125.433 1.492 . . . . 0.0 116.749 -173.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -105.95 115.42 30.19 Favored 'General case' 0 C--N 1.36 1.064 0 CA-C-N 119.667 1.734 . . . . 0.0 110.102 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.3 pt -94.11 112.8 27.54 Favored 'Isoleucine or valine' 0 C--N 1.366 1.321 0 C-N-CA 125.953 1.701 . . . . 0.0 114.157 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.4 t -131.77 155.86 42.05 Favored 'Isoleucine or valine' 0 C--N 1.365 1.276 0 C-N-CA 126.872 2.069 . . . . 0.0 108.5 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.9 t -127.7 141.61 51.55 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.484 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -162.72 172.72 14.86 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 117.316 2.339 . . . . 0.0 117.316 -164.494 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.44 ' HA ' ' HA ' ' A' ' 104' ' ' LYS . 24.0 pt -124.75 173.2 11.22 Favored 'Isoleucine or valine' 0 C--N 1.372 1.546 0 C-N-CA 131.214 3.806 . . . . 0.0 110.09 177.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 163.16 -158.73 31.15 Favored Glycine 0 C--N 1.364 2.127 0 N-CA-C 107.536 -2.226 . . . . 0.0 107.536 -176.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -158.83 109.39 1.6 Allowed Pre-proline 0 C--N 1.363 1.168 0 C-N-CA 125.748 1.619 . . . . 0.0 110.117 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -88.36 146.25 6.17 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 125.0 3.8 . . . . 0.0 115.072 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.0 t -132.52 147.69 31.9 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 N-CA-C 103.329 -2.841 . . . . 0.0 103.329 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--N 1.372 1.567 0 C-N-CA 125.843 1.657 . . . . 0.0 108.623 177.373 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 . . . . . 0 CA--C 1.512 -0.487 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.4 pp -92.39 133.92 32.18 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 O-C-N 118.967 -2.333 . . . . 0.0 109.916 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 48.2 m -98.55 130.64 45.11 Favored 'General case' 0 C--N 1.361 1.08 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -125.02 132.36 53.25 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 126.017 1.727 . . . . 0.0 107.584 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.502 -0.872 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 N--CA 1.446 -0.628 0 CA-C-O 121.908 0.861 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.4 m -108.32 116.36 51.39 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 N-CA-C 103.522 -2.77 . . . . 0.0 103.522 172.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.31 171.01 14.65 Favored 'Isoleucine or valine' 0 C--N 1.344 0.342 0 O-C-N 119.895 -1.753 . . . . 0.0 112.561 -166.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -115.7 113.34 23.36 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 124.24 1.016 . . . . 0.0 111.32 -169.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.42 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 27.7 m-85 -107.61 130.5 54.89 Favored 'General case' 0 C--N 1.362 1.117 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -175.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -120.97 159.48 25.51 Favored 'General case' 0 C--N 1.386 2.17 0 C-N-CA 126.863 2.065 . . . . 0.0 115.533 -171.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 m -145.55 148.38 33.12 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 125.772 1.629 . . . . 0.0 109.772 173.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.361 1.073 0 C-N-CA 125.942 1.697 . . . . 0.0 108.654 179.305 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 8.7 m95 . . . . . 0 N--CA 1.444 -0.742 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.7 m -131.14 161.27 41.36 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 O-C-N 121.248 -0.907 . . . . 0.0 109.299 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -90.24 115.02 27.14 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 127.506 2.322 . . . . 0.0 104.889 172.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -68.59 -48.57 63.83 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 127.552 2.341 . . . . 0.0 112.457 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.42 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 2.3 p90 -171.07 172.22 5.49 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.02 132.44 41.86 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 101.117 -3.661 . . . . 0.0 101.117 176.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.1 164.2 38.14 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 122.353 1.073 . . . . 0.0 113.893 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.88 121.41 27.69 Favored 'General case' 0 C--N 1.363 1.152 0 C-N-CA 126.501 1.921 . . . . 0.0 107.338 171.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.09 164.58 22.82 Favored 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 120.601 -1.312 . . . . 0.0 107.711 -172.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -124.5 106.15 9.95 Favored 'General case' 0 C--N 1.359 1.014 0 N-CA-C 101.818 -3.401 . . . . 0.0 101.818 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.447 HG22 HG23 ' A' ' 102' ' ' ILE . 36.8 t -107.26 117.12 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 128.142 2.577 . . . . 0.0 104.554 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -140.9 164.19 37.74 Favored Pre-proline 0 C--N 1.357 0.914 0 O-C-N 120.296 -1.503 . . . . 0.0 110.327 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -69.11 156.2 65.76 Favored 'Trans proline' 0 CA--C 1.552 1.414 1 C-N-CA 125.752 4.301 . . . . 0.0 113.071 175.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 tt . . . . . 0 CA--C 1.561 1.402 0 CA-C-N 122.094 2.225 . . . . 0.0 116.765 179.607 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.494 0 CA-C-O 122.17 0.872 . . . . 0.0 113.797 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.42 ' CE1' HG21 ' A' ' 115' ' ' VAL . 4.6 m-85 -113.14 159.02 19.67 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 124.833 2.254 . . . . 0.0 111.548 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -124.38 120.58 32.52 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 103.174 -2.898 . . . . 0.0 103.174 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.405 HD12 HG22 ' A' ' 72' ' ' VAL . 3.6 mm -120.81 133.02 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 C-N-CA 124.88 1.272 . . . . 0.0 108.254 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.391 1.8 p90 -129.82 140.55 51.0 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 164.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 m -139.82 151.88 66.8 Favored Pre-proline 0 C--N 1.354 0.774 0 C-N-CA 126.235 1.814 . . . . 0.0 108.324 -171.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -75.8 125.78 9.02 Favored 'Trans proline' 0 CA--C 1.556 1.588 0 CA-C-N 125.591 3.032 . . . . 0.0 108.229 162.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.361 0.0 OUTLIER 34.51 2.42 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.911 2 N-CA-C 124.731 5.086 . . . . 0.0 124.731 -176.201 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -103.38 131.94 50.05 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 119.694 -1.879 . . . . 0.0 112.261 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -107.68 25.95 10.88 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 126.486 1.914 . . . . 0.0 111.513 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.9 ttp-105 -102.54 1.42 34.95 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 119.506 3.15 . . . . 0.0 119.506 -167.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.447 HG23 HG22 ' A' ' 72' ' ' VAL . 3.2 mp -72.0 -67.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.673 0 CA-C-N 123.531 2.878 . . . . 0.0 113.194 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.483 ' HB3' ' CE1' ' A' ' 117' ' ' PHE . 35.3 p30 -116.11 113.79 23.62 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -165.96 53.28 0.1 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 174.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.7 tttp 76.75 69.02 0.06 Allowed 'General case' 0 C--N 1.372 1.557 0 C-N-CA 129.587 3.155 . . . . 0.0 111.085 -174.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 20.9 mtt -148.64 176.8 10.04 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 124.533 1.133 . . . . 0.0 108.835 -169.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 mpm_? -133.97 134.41 42.48 Favored 'General case' 0 C--N 1.367 1.342 0 N-CA-C 106.175 -1.787 . . . . 0.0 106.175 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.22 146.16 33.54 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 CA-C-O 122.699 1.237 . . . . 0.0 113.617 -176.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.3 mp -105.17 107.45 22.61 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 170.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.454 ' N ' ' CD1' ' A' ' 110' ' ' TYR 0.253 1.3 p90 -112.08 111.54 22.52 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 126.741 2.016 . . . . 0.0 107.459 173.792 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 58.81 31.71 21.51 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 126.939 2.096 . . . . 0.0 116.584 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.42 -2.21 86.34 Favored Glycine 0 C--N 1.359 1.812 0 N-CA-C 116.22 1.248 . . . . 0.0 116.22 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -97.02 140.95 30.78 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 125.739 1.616 . . . . 0.0 108.443 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 12.1 mt -118.68 124.61 73.42 Favored 'Isoleucine or valine' 0 C--N 1.369 1.431 0 CA-C-N 119.366 0.985 . . . . 0.0 109.739 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.42 HG21 ' CE1' ' A' ' 92' ' ' TYR . 9.8 p -131.78 152.1 36.4 Favored 'Isoleucine or valine' 0 C--N 1.36 1.022 0 C-N-CA 125.298 1.439 . . . . 0.0 110.561 177.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.1 t -119.07 135.54 54.59 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 129.04 2.936 . . . . 0.0 106.944 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -171.35 158.8 5.46 Favored 'General case' 0 C--N 1.367 1.354 0 N-CA-C 116.087 1.884 . . . . 0.0 116.087 -172.296 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 tp -120.2 118.45 56.86 Favored 'Isoleucine or valine' 0 C--N 1.37 1.498 0 C-N-CA 125.97 1.708 . . . . 0.0 108.902 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -126.69 174.64 18.07 Favored Glycine 0 C--N 1.363 2.047 0 O-C-N 120.546 -1.346 . . . . 0.0 115.564 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -129.32 128.6 23.22 Favored Pre-proline 0 C--N 1.357 0.896 0 C-N-CA 127.386 2.274 . . . . 0.0 109.282 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -96.43 153.65 1.27 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 123.901 3.068 . . . . 0.0 114.975 -177.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 18.0 t -131.99 126.32 56.43 Favored 'Isoleucine or valine' 0 C--N 1.368 1.381 0 C-N-CA 128.406 2.682 . . . . 0.0 107.758 175.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--N 1.368 1.401 0 O-C-N 119.843 -1.786 . . . . 0.0 112.657 177.055 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 . . . . . 0 N--CA 1.465 0.306 0 CA-C-O 123.737 1.732 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.8 pp -107.11 140.74 24.27 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 O-C-N 120.093 -1.629 . . . . 0.0 111.087 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 23.6 m -98.73 138.59 35.67 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 125.145 1.378 . . . . 0.0 108.916 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -119.74 122.68 41.96 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 C--N 1.353 0.754 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -179.521 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 CA--C 1.508 -0.667 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.1 t -97.15 115.46 36.86 Favored 'Isoleucine or valine' 0 C--N 1.368 1.375 0 CA-C-O 123.515 1.626 . . . . 0.0 108.2 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 pt -117.22 170.56 6.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 O-C-N 120.338 -1.476 . . . . 0.0 109.979 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.7 m -121.38 125.43 46.93 Favored 'General case' 0 C--N 1.373 1.628 0 O-C-N 120.736 -1.227 . . . . 0.0 110.625 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.426 ' CG ' ' CZ ' ' A' ' 66' ' ' PHE . 75.1 m-85 -105.34 130.89 53.35 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 125.964 1.706 . . . . 0.0 110.873 179.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -131.81 146.33 52.08 Favored 'General case' 0 C--N 1.373 1.594 0 C-N-CA 125.912 1.685 . . . . 0.0 110.579 -176.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.4 p -126.36 157.78 37.59 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 120.534 -1.354 . . . . 0.0 112.981 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.361 1.078 0 C-N-CA 129.711 3.204 . . . . 0.0 104.47 176.643 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.4 m95 . . . . . 0 N--CA 1.443 -0.781 0 CA-C-O 122.921 1.343 . . . . 0.0 111.606 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.2 p -143.4 164.29 15.7 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.37 146.44 26.46 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 125.855 1.662 . . . . 0.0 107.867 173.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -100.8 -61.65 1.34 Allowed 'General case' 0 C--N 1.354 0.78 0 CA-C-O 122.623 1.202 . . . . 0.0 110.05 -174.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.426 ' CZ ' ' CG ' ' A' ' 45' ' ' PHE . 5.4 p90 -162.93 174.53 12.23 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 104.878 -2.268 . . . . 0.0 104.878 -177.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -135.88 133.23 37.52 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 101.752 -3.425 . . . . 0.0 101.752 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.72 164.84 33.18 Favored 'General case' 0 CA--C 1.498 -1.055 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.98 114.53 20.62 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 123.947 1.832 . . . . 0.0 106.529 170.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -158.12 166.83 31.49 Favored 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 114.185 -1.371 . . . . 0.0 107.727 -172.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -128.22 107.53 9.86 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 101.758 -3.423 . . . . 0.0 101.758 171.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.1 t -110.33 103.24 15.18 Favored 'Isoleucine or valine' 0 C--N 1.373 1.614 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -138.61 152.77 71.54 Favored Pre-proline 0 C--N 1.361 1.106 0 O-C-N 118.806 -2.434 . . . . 0.0 111.938 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -71.61 150.03 56.29 Favored 'Trans proline' 0 C--N 1.364 1.381 0 C-N-CA 124.996 3.797 . . . . 0.0 113.937 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.6 tt . . . . . 0 C--N 1.363 1.174 0 CA-C-O 125.471 2.557 . . . . 0.0 110.337 175.905 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.746 0 CA-C-O 122.098 0.832 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.277 6.2 m-85 -106.09 157.22 17.7 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-O 125.32 2.486 . . . . 0.0 109.555 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER -127.35 118.06 23.42 Favored 'General case' 0 N--CA 1.441 -0.899 1 N-CA-C 99.581 -4.229 . . . . 0.0 99.581 176.475 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.1 mt -147.09 142.23 20.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 O-C-N 121.101 -0.999 . . . . 0.0 110.947 -169.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.14 139.2 52.03 Favored 'General case' 0 C--N 1.368 1.396 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 169.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.1 t -139.99 142.25 29.91 Favored Pre-proline 0 C--N 1.368 1.406 0 N-CA-C 103.127 -2.916 . . . . 0.0 103.127 162.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -61.06 126.85 20.54 Favored 'Trans proline' 0 C--N 1.369 1.62 1 C-N-CA 125.337 4.025 . . . . 0.0 112.052 176.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.364 0.7 OUTLIER 28.32 16.56 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.664 2 C-N-CA 135.826 5.651 . . . . 0.0 122.432 -174.338 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -103.34 131.26 50.55 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 119.98 -1.7 . . . . 0.0 110.281 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -99.8 31.81 3.11 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 127.185 2.194 . . . . 0.0 112.438 -175.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -103.14 -47.58 4.29 Favored 'General case' 0 C--N 1.356 0.888 0 N-CA-C 118.071 2.619 . . . . 0.0 118.071 -176.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -9.31 -67.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.388 2.251 1 C-N-CA 133.058 4.543 . . . . 0.0 120.614 178.641 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -135.22 111.4 9.63 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 100.769 -3.789 . . . . 0.0 100.769 170.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -147.95 -83.9 0.11 Allowed 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 101.557 -3.498 . . . . 0.0 101.557 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -142.49 90.24 2.21 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 100.372 -3.936 . . . . 0.0 100.372 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.8 ttm -158.76 170.78 21.38 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 120.527 -1.358 . . . . 0.0 111.455 -169.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -128.85 134.51 48.34 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.8 m -134.84 151.21 30.88 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 O-C-N 120.487 -1.383 . . . . 0.0 109.075 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.4 pt -112.19 107.8 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 101.863 -3.384 . . . . 0.0 101.863 166.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -96.6 107.16 19.55 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 130.596 3.558 . . . . 0.0 103.855 173.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 46.29 32.73 1.59 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 128.818 2.847 . . . . 0.0 118.468 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.63 8.47 62.26 Favored Glycine 0 C--N 1.364 2.124 0 C-N-CA 126.059 1.79 . . . . 0.0 116.065 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -110.81 124.3 51.76 Favored 'General case' 0 C--N 1.361 1.07 0 CA-C-N 119.597 1.698 . . . . 0.0 108.028 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.3 tt -92.54 127.72 44.54 Favored 'Isoleucine or valine' 0 C--N 1.363 1.189 0 CA-C-O 123.38 1.562 . . . . 0.0 113.86 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.7 t -128.66 137.62 56.83 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 C-N-CA 127.447 2.299 . . . . 0.0 108.665 -175.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.1 t -123.88 126.53 46.56 Favored 'General case' 0 C--N 1.368 1.374 0 N-CA-C 104.909 -2.256 . . . . 0.0 104.909 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.83 155.16 11.98 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-O 122.941 1.353 . . . . 0.0 114.572 -171.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 10.9 tt -117.48 135.17 58.73 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 C-N-CA 127.468 2.307 . . . . 0.0 108.694 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -156.99 -169.77 21.23 Favored Glycine 0 C--N 1.36 1.897 0 O-C-N 120.291 -1.506 . . . . 0.0 112.076 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -151.6 96.72 3.15 Favored Pre-proline 0 C--N 1.362 1.126 0 C-N-CA 126.406 1.882 . . . . 0.0 111.718 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -72.69 146.82 44.0 Favored 'Trans proline' 0 CA--C 1.547 1.138 1 C-N-CA 125.66 4.24 . . . . 0.0 116.336 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.4 p -132.78 148.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 C-N-CA 125.774 1.63 . . . . 0.0 113.14 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--N 1.367 1.357 0 O-C-N 120.006 -1.684 . . . . 0.0 108.074 172.282 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 121.394 0.616 . . . . 0.0 112.211 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 15.1 pt -100.7 131.53 48.12 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 C-N-CA 124.472 1.109 . . . . 0.0 113.218 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.3 m -110.41 119.47 39.31 Favored 'General case' 0 C--N 1.364 1.233 0 N-CA-C 104.445 -2.428 . . . . 0.0 104.445 170.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -123.97 138.08 54.52 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 125.464 1.506 . . . . 0.0 111.056 -172.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.356 0.879 0 N-CA-C 106.341 -1.725 . . . . 0.0 106.341 171.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 N--CA 1.47 0.541 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -96.51 114.7 34.0 Favored 'Isoleucine or valine' 0 C--N 1.37 1.482 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.6 mt -107.3 156.3 7.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 128.662 2.785 . . . . 0.0 109.865 -170.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.5 m -120.8 111.23 17.3 Favored 'General case' 0 C--N 1.37 1.474 0 O-C-N 121.133 -0.979 . . . . 0.0 109.381 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 82.9 m-85 -107.48 132.75 52.88 Favored 'General case' 0 C--N 1.363 1.153 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -178.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.05 159.86 27.56 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 126.756 2.022 . . . . 0.0 108.849 171.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.3 t -121.14 148.77 43.75 Favored 'General case' 0 C--N 1.374 1.642 0 C-N-CA 128.118 2.567 . . . . 0.0 112.86 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.2 t80 . . . . . 0 C--N 1.359 1.021 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 174.25 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 29.2 m95 . . . . . 0 N--CA 1.443 -0.808 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -129.03 166.9 25.48 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 O-C-N 120.949 -1.094 . . . . 0.0 108.174 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -97.69 135.4 39.54 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 125.766 1.626 . . . . 0.0 107.155 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -98.19 -68.29 0.81 Allowed 'General case' 0 C--N 1.365 1.259 0 O-C-N 121.121 -0.987 . . . . 0.0 112.7 -173.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.424 ' CZ ' ' CD1' ' A' ' 45' ' ' PHE . 6.7 p90 -164.91 175.16 9.8 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -177.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 t -136.99 132.96 35.05 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 102.732 -3.062 . . . . 0.0 102.732 170.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.15 165.06 37.04 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.36 121.94 26.84 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.308 1.843 . . . . 0.0 109.386 177.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -169.01 171.88 7.93 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 122.803 1.287 . . . . 0.0 112.912 -162.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -129.58 122.06 28.37 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 165.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.6 t -107.72 102.11 13.49 Favored 'Isoleucine or valine' 0 C--N 1.374 1.652 0 N-CA-C 102.661 -3.088 . . . . 0.0 102.661 171.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -113.79 138.77 22.86 Favored Pre-proline 0 C--N 1.357 0.898 0 O-C-N 119.597 -1.939 . . . . 0.0 112.3 -172.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -71.61 155.89 58.42 Favored 'Trans proline' 0 CA--C 1.551 1.338 0 CA-C-N 126.359 3.307 . . . . 0.0 114.099 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.3 pt . . . . . 0 C--N 1.379 1.887 0 C-N-CA 127.838 2.455 . . . . 0.0 112.963 172.855 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.482 -2.023 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -132.82 154.16 50.58 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 123.696 1.712 . . . . 0.0 109.341 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -127.58 118.89 24.79 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 103.258 -2.867 . . . . 0.0 103.258 173.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 28.4 mt -133.53 145.7 33.22 Favored 'Isoleucine or valine' 0 C--N 1.348 0.539 0 O-C-N 120.971 -1.081 . . . . 0.0 110.463 -170.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.76 129.36 50.31 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 104.584 -2.376 . . . . 0.0 104.584 171.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.1 m -140.84 145.37 39.41 Favored Pre-proline 0 C--N 1.352 0.679 0 N-CA-C 104.435 -2.432 . . . . 0.0 104.435 172.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -73.6 140.14 29.24 Favored 'Trans proline' 0 C--N 1.363 1.32 0 C-N-CA 124.915 3.743 . . . . 0.0 112.04 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.381 1.5 t80 31.69 -1.78 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.061 2 C-N-CA 136.032 5.733 . . . . 0.0 123.523 -177.16 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -103.45 106.52 17.05 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 129.412 3.085 . . . . 0.0 111.615 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -87.81 48.2 1.61 Allowed 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.358 2.263 . . . . 0.0 111.386 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 85.8 mmt-85 -102.09 -49.46 3.92 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 128.863 2.865 . . . . 0.0 112.916 -173.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.411 HG13 ' H ' ' A' ' 103' ' ' ASP . 0.8 OUTLIER 8.7 -82.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.377 1.799 1 C-N-CA 132.312 4.245 . . . . 0.0 120.856 167.998 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.411 ' H ' HG13 ' A' ' 102' ' ' ILE . 56.1 t0 -122.94 111.61 16.83 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 127.339 2.256 . . . . 0.0 105.858 170.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -175.27 43.4 0.01 OUTLIER 'General case' 0 C--N 1.365 1.24 0 C-N-CA 126.518 1.927 . . . . 0.0 107.698 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 81.55 56.61 0.02 OUTLIER 'General case' 0 C--N 1.372 1.555 0 C-N-CA 128.496 2.719 . . . . 0.0 108.395 -170.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.09 158.51 36.82 Favored 'General case' 0 C--N 1.364 1.232 0 CA-C-O 124.527 2.108 . . . . 0.0 111.031 -171.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -123.9 129.98 51.85 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 101.555 -3.498 . . . . 0.0 101.555 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.5 p -131.32 143.71 39.82 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 CA-C-O 122.599 1.19 . . . . 0.0 109.357 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.05 105.65 19.02 Favored 'Isoleucine or valine' 0 C--N 1.369 1.432 0 N-CA-C 101.118 -3.66 . . . . 0.0 101.118 166.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -99.55 90.45 4.51 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 128.582 2.753 . . . . 0.0 105.947 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 60.51 33.08 20.58 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.84 8.47 61.92 Favored Glycine 0 C--N 1.364 2.119 0 C-N-CA 126.042 1.782 . . . . 0.0 115.535 -174.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -108.19 120.05 41.25 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 125.83 1.652 . . . . 0.0 109.431 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.4 pt -97.55 113.81 33.03 Favored 'Isoleucine or valine' 0 C--N 1.365 1.267 0 C-N-CA 125.624 1.57 . . . . 0.0 114.217 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 26.7 m -131.18 149.5 33.43 Favored 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 126.044 1.738 . . . . 0.0 110.095 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 t -121.68 139.91 52.96 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 127.297 2.239 . . . . 0.0 106.95 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.5 153.53 11.18 Favored 'General case' 0 C--N 1.362 1.128 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -173.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.2 mt -114.49 121.43 66.58 Favored 'Isoleucine or valine' 0 C--N 1.377 1.762 0 C-N-CA 125.803 1.641 . . . . 0.0 106.691 174.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -136.88 178.74 18.66 Favored Glycine 0 C--N 1.363 2.081 0 O-C-N 120.617 -1.302 . . . . 0.0 112.228 -176.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -123.91 97.21 41.47 Favored Pre-proline 0 C--N 1.361 1.068 0 C-N-CA 125.818 1.647 . . . . 0.0 108.339 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -88.05 155.68 7.09 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 124.271 3.314 . . . . 0.0 112.927 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 17.4 t -127.7 129.61 70.14 Favored 'Isoleucine or valine' 0 C--N 1.361 1.069 0 C-N-CA 126.286 1.835 . . . . 0.0 111.049 -176.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 . . . . . 0 C--N 1.365 1.267 0 C-N-CA 127.643 2.377 . . . . 0.0 108.896 172.11 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 . . . . . 0 N--CA 1.462 0.156 0 CA-C-O 121.714 0.769 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 88.7 mt -101.31 127.18 54.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 120.565 -1.335 . . . . 0.0 108.935 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.32 121.56 41.25 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 127.874 2.47 . . . . 0.0 106.771 174.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 81.6 ttt180 -124.38 138.62 54.35 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 125.504 1.522 . . . . 0.0 111.248 -173.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.353 0.744 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 169.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--O 1.242 0.672 0 CA-C-O 122.34 1.067 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.0 t -97.86 116.17 39.76 Favored 'Isoleucine or valine' 0 C--N 1.37 1.468 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.0 mm -101.59 153.07 5.12 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 C-N-CA 127.279 2.231 . . . . 0.0 110.916 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.0 m -113.65 114.91 27.07 Favored 'General case' 0 C--N 1.375 1.676 0 O-C-N 121.236 -0.915 . . . . 0.0 108.732 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.458 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 97.6 m-85 -105.74 123.62 48.23 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 123.742 0.817 . . . . 0.0 110.118 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -131.01 146.36 52.36 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.022 1.729 . . . . 0.0 109.746 -176.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.4 p -117.43 168.77 10.07 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.943 1.697 . . . . 0.0 112.044 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 t80 . . . . . 0 C--N 1.359 0.979 0 N-CA-C 104.417 -2.438 . . . . 0.0 104.417 173.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 83.8 m95 . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.9 p -138.93 168.38 19.22 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 C-N-CA 125.335 1.454 . . . . 0.0 108.934 -173.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -89.56 146.09 24.82 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.004 1.722 . . . . 0.0 108.451 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -97.21 -56.56 2.5 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 124.564 1.146 . . . . 0.0 108.554 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.458 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 9.6 p90 -164.89 173.9 11.16 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.2 p -134.17 132.25 39.58 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 102.478 -3.156 . . . . 0.0 102.478 174.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.46 164.24 37.64 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -176.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.61 115.15 21.45 Favored 'General case' 0 C--N 1.366 1.299 0 O-C-N 120.28 -1.512 . . . . 0.0 107.782 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.71 145.15 4.42 Favored 'General case' 0 CA--C 1.497 -1.067 0 C-N-CA 119.169 -1.012 . . . . 0.0 108.309 -164.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -111.26 112.16 23.74 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 120.613 1.551 . . . . 0.0 108.792 172.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.8 t -95.74 127.19 47.99 Favored 'Isoleucine or valine' 0 C--N 1.375 1.714 1 N-CA-C 98.893 -4.484 . . . . 0.0 98.893 169.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -132.73 128.4 20.84 Favored Pre-proline 0 C--N 1.353 0.758 0 CA-C-O 115.583 -2.151 . . . . 0.0 109.818 -173.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -71.47 140.06 35.74 Favored 'Trans proline' 0 C--N 1.363 1.331 0 C-N-CA 125.201 3.934 . . . . 0.0 112.845 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.438 10.9 tt . . . . . 0 C--N 1.364 1.2 0 C-N-CA 129.569 3.147 . . . . 0.0 118.223 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.484 -1.893 0 CA-C-O 123.084 1.38 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -127.74 142.66 51.26 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 125.125 1.37 . . . . 0.0 109.189 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -138.1 123.89 19.93 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 103.524 -2.769 . . . . 0.0 103.524 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 133' ' ' ILE . 2.8 mp -126.25 148.38 30.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 C-N-CA 125.634 1.574 . . . . 0.0 113.483 -165.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.82 113.82 21.18 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 103.552 -2.759 . . . . 0.0 103.552 169.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.6 m -140.49 148.95 55.64 Favored Pre-proline 0 C--N 1.361 1.085 0 O-C-N 118.816 -2.427 . . . . 0.0 109.369 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -70.54 133.37 23.98 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 124.794 3.663 . . . . 0.0 111.676 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.27 2.7 t80 10.45 18.08 0.0 OUTLIER 'General case' 0 C--N 1.366 1.296 2 C-N-CA 137.324 6.25 . . . . 0.0 122.961 -176.09 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -95.47 137.7 34.17 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 128.585 2.754 . . . . 0.0 110.363 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -119.26 23.75 11.12 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 127.201 2.2 . . . . 0.0 111.495 -175.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -99.24 -43.91 6.44 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.674 ' CD1' ' H ' ' A' ' 102' ' ' ILE . 2.2 mp -12.51 -70.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.381 1.977 1 C-N-CA 136.058 5.743 . . . . 0.0 116.301 -179.483 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . 0.304 52.8 p30 -133.21 113.53 12.77 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 122.024 0.916 . . . . 0.0 108.851 167.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -169.04 43.57 0.03 OUTLIER 'General case' 0 C--N 1.355 0.839 0 N-CA-C 103.237 -2.875 . . . . 0.0 103.237 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? 84.1 82.81 0.03 OUTLIER 'General case' 0 C--N 1.371 1.543 0 C-N-CA 128.928 2.891 . . . . 0.0 109.663 -174.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 39.0 tpp -158.44 165.96 33.37 Favored 'General case' 0 C--N 1.36 1.057 0 O-C-N 120.825 -1.172 . . . . 0.0 108.262 -169.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -118.04 148.25 42.44 Favored 'General case' 0 C--N 1.366 1.32 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 167.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.5 p -138.94 150.13 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.1 tt -120.94 106.51 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.073 1 N-CA-C 100.152 -4.018 . . . . 0.0 100.152 164.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . 0.426 11.2 p90 -108.04 101.43 10.67 Favored 'General case' 0 C--N 1.373 1.627 0 C-N-CA 124.565 1.146 . . . . 0.0 110.829 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 60.51 32.1 20.41 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 126.25 1.82 . . . . 0.0 114.698 -176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.13 12.97 58.21 Favored Glycine 0 C--N 1.363 2.082 0 C-N-CA 125.547 1.546 . . . . 0.0 116.806 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -107.76 109.5 21.09 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 119.7 1.75 . . . . 0.0 109.361 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.8 mp -90.79 109.03 20.43 Favored 'Isoleucine or valine' 0 C--N 1.37 1.477 0 C-N-CA 125.394 1.478 . . . . 0.0 110.705 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.41 149.97 33.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 C-N-CA 125.33 1.452 . . . . 0.0 109.736 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -113.68 131.45 56.15 Favored 'General case' 0 C--N 1.363 1.186 0 N-CA-C 103.14 -2.911 . . . . 0.0 103.14 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -156.59 166.16 34.19 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -170.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 22.7 pt -133.06 162.8 39.4 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 C-N-CA 126.315 1.846 . . . . 0.0 109.101 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 179.36 -166.97 36.71 Favored Glycine 0 C--N 1.363 2.045 0 O-C-N 121.662 -0.649 . . . . 0.0 113.416 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -146.55 138.09 13.17 Favored Pre-proline 0 C--N 1.369 1.446 0 C-N-CA 126.276 1.83 . . . . 0.0 112.144 178.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -103.57 144.56 0.16 Allowed 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 124.781 3.654 . . . . 0.0 114.289 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 97.7 t -132.84 139.06 50.53 Favored 'Isoleucine or valine' 0 C--N 1.364 1.223 0 N-CA-C 105.834 -1.914 . . . . 0.0 105.834 174.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--N 1.368 1.373 0 O-C-N 120.073 -1.642 . . . . 0.0 110.536 178.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 C--O 1.226 -0.171 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 47.6 mm -106.0 131.82 54.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 O-C-N 121.099 -1.001 . . . . 0.0 111.052 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.9 m -114.23 140.67 48.38 Favored 'General case' 0 C--N 1.364 1.205 0 CA-C-O 124.405 2.05 . . . . 0.0 107.565 171.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -101.43 120.19 39.91 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 129.862 3.265 . . . . 0.0 108.752 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 94' ' ' ILE . 3.4 mm . . . . . 0 C--N 1.355 0.837 0 N-CA-C 105.709 -1.96 . . . . 0.0 105.709 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 . . . . . 0 N--CA 1.467 0.422 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -95.86 116.63 38.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.977 0 CA-C-O 124.3 2.0 . . . . 0.0 110.655 -172.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.4 mm -103.42 158.06 5.02 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 C-N-CA 129.001 2.92 . . . . 0.0 110.845 -171.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.1 m -121.01 114.77 21.99 Favored 'General case' 0 C--N 1.373 1.593 0 O-C-N 120.469 -1.394 . . . . 0.0 108.667 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CG ' ' CZ ' ' A' ' 66' ' ' PHE . 42.3 m-85 -103.02 132.55 49.21 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 125.463 1.505 . . . . 0.0 110.501 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -129.9 148.55 51.78 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 125.568 1.547 . . . . 0.0 114.704 -172.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.9 p -123.76 156.05 36.75 Favored 'General case' 0 C--N 1.369 1.428 0 C-N-CA 127.791 2.436 . . . . 0.0 114.911 -176.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.4 t80 . . . . . 0 C--N 1.363 1.19 0 C-N-CA 126.844 2.058 . . . . 0.0 109.602 -179.573 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 49.0 m95 . . . . . 0 N--CA 1.438 -1.054 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.34 160.64 28.46 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -83.35 146.76 28.31 Favored 'General case' 0 C--N 1.364 1.224 0 C-N-CA 125.648 1.579 . . . . 0.0 111.342 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -97.39 -59.23 1.82 Allowed 'General case' 0 C--N 1.361 1.096 0 C-N-CA 125.394 1.478 . . . . 0.0 111.613 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.404 ' CZ ' ' CG ' ' A' ' 45' ' ' PHE . 12.6 p90 -162.54 173.58 13.8 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 -178.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.9 t -137.08 133.41 35.37 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 103.564 -2.754 . . . . 0.0 103.564 174.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.37 157.95 43.12 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.0 -1.062 . . . . 0.0 112.819 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.51 114.28 20.81 Favored 'General case' 0 C--N 1.369 1.423 0 O-C-N 120.271 -1.518 . . . . 0.0 109.263 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.74 170.33 10.97 Favored 'General case' 0 CA--C 1.496 -1.115 0 O-C-N 120.944 -1.097 . . . . 0.0 109.345 -164.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -122.87 108.87 13.47 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 174.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 t -110.77 96.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.371 1.503 0 N-CA-C 101.359 -3.571 . . . . 0.0 101.359 -177.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -112.76 139.5 22.89 Favored Pre-proline 0 C--N 1.357 0.919 0 O-C-N 119.008 -2.307 . . . . 0.0 116.525 -163.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -71.35 146.88 51.64 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 123.091 2.527 . . . . 0.0 113.624 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.328 69.6 mt . . . . . 0 C--N 1.356 0.86 0 C-N-CA 130.115 3.366 . . . . 0.0 116.939 171.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.408 0 N-CA-C 114.262 0.465 . . . . 0.0 114.262 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -111.56 132.34 54.61 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 126.55 1.94 . . . . 0.0 107.277 174.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.93 124.67 33.67 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 125.436 1.494 . . . . 0.0 109.371 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.1 mp -120.67 143.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 C-N-CA 125.2 1.4 . . . . 0.0 113.085 -171.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.251 0.0 OUTLIER -122.07 113.86 20.13 Favored 'General case' 0 C--N 1.366 1.305 0 N-CA-C 102.81 -3.033 . . . . 0.0 102.81 166.495 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.0 t -140.48 158.97 64.96 Favored Pre-proline 0 C--N 1.366 1.294 0 O-C-N 120.881 -1.137 . . . . 0.0 110.154 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -68.13 148.32 74.91 Favored 'Trans proline' 0 CA--C 1.557 1.641 0 C-N-CA 124.093 3.195 . . . . 0.0 111.781 163.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.253 2.4 t80 -8.48 27.88 0.0 OUTLIER 'General case' 0 C--N 1.365 1.256 2 C-N-CA 137.096 6.158 . . . . 0.0 124.535 -177.305 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -103.12 138.01 40.52 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 119.675 -1.89 . . . . 0.0 109.749 175.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -114.52 24.93 11.43 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 120.446 -1.409 . . . . 0.0 111.875 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -102.12 -39.88 7.07 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 116.862 2.171 . . . . 0.0 116.862 -173.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.71 ' CD1' ' H ' ' A' ' 102' ' ' ILE . 2.7 mp -13.13 -68.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.375 1.691 1 C-N-CA 135.462 5.505 . . . . 0.0 119.207 -179.313 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.93 110.92 15.42 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 103.826 -2.657 . . . . 0.0 103.826 171.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -174.14 39.96 0.01 OUTLIER 'General case' 0 C--N 1.352 0.691 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 87.0 tttt 84.46 73.92 0.02 OUTLIER 'General case' 0 C--N 1.369 1.45 0 C-N-CA 129.35 3.06 . . . . 0.0 107.5 -171.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.9 mmt -151.25 179.05 8.64 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 123.116 1.436 . . . . 0.0 109.754 -169.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -137.23 134.84 36.67 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 128.198 2.599 . . . . 0.0 104.65 174.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.7 t -128.39 141.2 47.16 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 O-C-N 119.68 -1.887 . . . . 0.0 106.364 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.5 mp -102.47 105.94 19.01 Favored 'Isoleucine or valine' 0 C--N 1.37 1.477 0 N-CA-C 100.838 -3.764 . . . . 0.0 100.838 170.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -102.38 91.58 4.32 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 129.94 3.296 . . . . 0.0 107.41 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 58.19 32.94 22.65 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 127.673 2.389 . . . . 0.0 116.293 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.08 3.79 65.27 Favored Glycine 0 C--N 1.363 2.033 0 C-N-CA 125.995 1.76 . . . . 0.0 116.219 -173.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -105.57 129.19 53.88 Favored 'General case' 0 C--N 1.361 1.088 0 CA-C-N 119.629 1.715 . . . . 0.0 107.407 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.8 tt -114.17 118.77 59.41 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 CA-C-O 122.127 0.965 . . . . 0.0 111.712 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.1 t -130.98 143.55 40.51 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 C-N-CA 125.53 1.532 . . . . 0.0 109.041 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 32.7 m -109.23 134.57 51.6 Favored 'General case' 0 C--N 1.378 1.818 0 C-N-CA 128.708 2.803 . . . . 0.0 107.668 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -167.14 172.6 9.85 Favored 'General case' 0 C--N 1.362 1.131 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -170.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.8 tp -124.92 156.72 33.61 Favored 'Isoleucine or valine' 0 C--N 1.366 1.302 0 C-N-CA 127.666 2.386 . . . . 0.0 110.186 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -170.15 -168.03 31.42 Favored Glycine 0 C--N 1.366 2.217 0 O-C-N 120.819 -1.176 . . . . 0.0 113.495 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -141.16 131.23 13.07 Favored Pre-proline 0 C--N 1.371 1.505 0 C-N-CA 127.803 2.441 . . . . 0.0 110.606 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -103.12 143.34 0.16 Allowed 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 124.545 3.496 . . . . 0.0 114.704 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.35 139.65 49.56 Favored 'Isoleucine or valine' 0 C--N 1.367 1.366 0 C-N-CA 125.169 1.388 . . . . 0.0 108.461 172.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 C--N 1.359 0.979 0 O-C-N 119.388 -2.07 . . . . 0.0 113.415 -179.436 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 . . . . . 0 N--CA 1.469 0.498 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 13.7 pt -116.92 137.13 51.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 CA-C-O 122.742 1.258 . . . . 0.0 113.977 -170.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 26.8 m -115.23 141.02 48.59 Favored 'General case' 0 C--N 1.368 1.394 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 175.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -120.49 137.18 54.5 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-O 124.425 2.06 . . . . 0.0 106.744 176.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 CA--C 1.503 -0.845 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 -175.73 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 N--CA 1.475 0.775 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -105.38 115.59 47.49 Favored 'Isoleucine or valine' 0 C--N 1.372 1.566 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 172.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -113.14 161.77 11.82 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 C-N-CA 125.66 1.584 . . . . 0.0 113.82 -167.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 m -105.6 113.42 26.97 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 127.623 2.369 . . . . 0.0 108.704 174.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.406 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 98.3 m-85 -111.36 125.04 53.43 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.398 0.999 . . . . 0.0 113.012 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -123.84 149.19 46.04 Favored 'General case' 0 C--N 1.371 1.51 0 C-N-CA 125.265 1.426 . . . . 0.0 112.189 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.2 p -115.19 165.25 13.14 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.909 2.484 . . . . 0.0 111.313 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.8 t80 . . . . . 0 C--N 1.368 1.397 0 C-N-CA 125.304 1.441 . . . . 0.0 110.041 -179.215 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 94.2 m95 . . . . . 0 N--CA 1.443 -0.78 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.4 t -118.97 151.12 21.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 125.631 1.572 . . . . 0.0 107.255 -174.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -64.74 137.43 57.79 Favored 'General case' 0 C--N 1.367 1.334 0 C-N-CA 127.233 2.213 . . . . 0.0 114.816 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -101.16 -45.98 5.2 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 128.944 2.898 . . . . 0.0 107.827 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.406 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 1.6 p90 -171.06 177.4 3.7 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 103.725 -2.695 . . . . 0.0 103.725 -178.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.8 t -141.32 131.68 25.14 Favored 'General case' 0 CA--C 1.502 -0.874 1 N-CA-C 98.089 -4.782 . . . . 0.0 98.089 169.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.75 165.04 35.25 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -174.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.37 114.57 20.92 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 128.155 2.582 . . . . 0.0 109.395 174.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.15 160.39 43.41 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 -173.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -104.48 104.0 13.78 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 102.904 -2.999 . . . . 0.0 102.904 169.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.06 114.46 47.18 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 1 N-CA-C 97.044 -5.169 . . . . 0.0 97.044 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.99 140.39 23.98 Favored Pre-proline 0 C--N 1.368 1.401 0 CA-C-N 120.858 1.663 . . . . 0.0 110.76 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -72.05 133.64 21.83 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 124.271 3.314 . . . . 0.0 108.373 164.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.7 tp . . . . . 0 C--N 1.354 0.784 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 -174.89 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.069 0 N-CA-C 108.47 -1.852 . . . . 0.0 108.47 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -106.54 142.43 36.21 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-O 123.407 1.575 . . . . 0.0 110.362 174.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -116.62 119.49 35.68 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 104.089 -2.559 . . . . 0.0 104.089 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -150.23 130.66 4.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 O-C-N 119.902 -1.748 . . . . 0.0 111.941 -171.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.259 2.9 p90 -126.14 146.46 49.94 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.288 1.835 . . . . 0.0 107.035 169.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -137.87 153.98 74.16 Favored Pre-proline 0 C--N 1.353 0.76 0 C-N-CA 126.57 1.948 . . . . 0.0 106.387 -175.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -71.92 126.59 12.05 Favored 'Trans proline' 0 CA--C 1.558 1.698 0 C-N-CA 123.02 2.48 . . . . 0.0 108.823 161.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.296 0.5 OUTLIER 18.82 19.07 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.108 2 C-N-CA 134.827 5.251 . . . . 0.0 124.889 -176.148 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -103.74 128.99 51.07 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 126.982 2.113 . . . . 0.0 109.26 176.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -104.66 37.29 2.17 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 125.673 1.589 . . . . 0.0 108.536 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -102.14 -49.31 3.95 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 -168.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.472 ' CD1' ' H ' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -13.7 -71.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.39 2.343 1 C-N-CA 132.447 4.299 . . . . 0.0 119.982 173.646 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.472 ' H ' ' CD1' ' A' ' 102' ' ' ILE 0.283 12.9 p-10 -133.31 113.24 12.37 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.783 1.233 . . . . 0.0 109.848 165.8 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -173.18 55.89 0.02 OUTLIER 'General case' 0 C--N 1.352 0.684 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 82.72 62.64 0.02 OUTLIER 'General case' 0 C--N 1.37 1.477 0 C-N-CA 129.653 3.181 . . . . 0.0 110.108 -173.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.2 mmt -137.13 162.44 33.4 Favored 'General case' 0 C--N 1.362 1.117 0 CA-C-O 123.02 1.39 . . . . 0.0 112.362 -171.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -130.08 123.52 30.62 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 101.77 -3.419 . . . . 0.0 101.77 171.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.9 m -128.02 152.57 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.751 0 CA-C-O 122.868 1.318 . . . . 0.0 108.801 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.7 mt -117.59 105.99 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 N-CA-C 101.095 -3.668 . . . . 0.0 101.095 168.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.86 124.79 53.1 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 103.597 -2.742 . . . . 0.0 103.597 174.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 48.48 31.96 3.11 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 128.659 2.784 . . . . 0.0 117.387 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.6 10.36 79.6 Favored Glycine 0 C--N 1.359 1.83 0 C-N-CA 126.195 1.855 . . . . 0.0 116.335 -175.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -110.26 126.65 54.4 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-N 120.005 1.903 . . . . 0.0 109.25 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.39 118.0 44.24 Favored 'Isoleucine or valine' 0 C--N 1.37 1.464 0 C-N-CA 124.724 1.21 . . . . 0.0 110.192 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.5 m -131.41 152.51 37.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 C-N-CA 125.752 1.621 . . . . 0.0 109.659 177.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.3 t -123.82 133.66 53.76 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 126.888 2.075 . . . . 0.0 105.59 176.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -169.45 160.14 9.02 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 123.929 0.892 . . . . 0.0 112.151 -171.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.39 132.54 60.42 Favored 'Isoleucine or valine' 0 C--N 1.361 1.09 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 177.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -130.4 -174.38 13.67 Favored Glycine 0 C--N 1.364 2.084 0 C-N-CA 124.413 1.006 . . . . 0.0 112.774 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -134.88 83.93 39.38 Favored Pre-proline 0 C--N 1.36 1.045 0 C-N-CA 126.861 2.064 . . . . 0.0 109.815 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -75.87 134.27 16.21 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 124.736 3.624 . . . . 0.0 115.087 -171.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.3 p -116.34 139.2 44.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.965 0 C-N-CA 124.775 1.23 . . . . 0.0 111.27 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 C--N 1.363 1.183 0 C-N-CA 127.181 2.193 . . . . 0.0 111.937 177.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 . . . . . 0 CA--C 1.53 0.18 0 N-CA-C 117.648 2.462 . . . . 0.0 117.648 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 75.9 mt -116.71 129.8 72.63 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 C-N-CA 127.573 2.349 . . . . 0.0 110.444 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.0 p -113.37 128.82 56.59 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 127.342 2.257 . . . . 0.0 107.843 170.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 53.6 ttt85 -124.5 137.79 54.39 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 120.382 -1.449 . . . . 0.0 111.566 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.351 0.667 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 175.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.508 ' HB3' ' HE ' ' A' ' 111' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.509 0 CA-C-O 123.025 1.393 . . . . 0.0 108.653 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.31 115.88 49.64 Favored 'Isoleucine or valine' 0 C--N 1.365 1.239 0 N-CA-C 103.742 -2.688 . . . . 0.0 103.742 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.7 mm -102.41 158.89 4.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 C-N-CA 125.776 1.631 . . . . 0.0 111.474 -167.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.72 109.46 16.12 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 125.423 1.489 . . . . 0.0 108.38 -178.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.432 ' CE2' HG23 ' A' ' 102' ' ' ILE . 40.5 m-85 -102.59 130.4 49.45 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 124.872 1.269 . . . . 0.0 112.844 -176.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -139.77 170.05 16.6 Favored 'General case' 0 C--N 1.374 1.667 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -173.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -141.73 165.86 26.33 Favored 'General case' 0 C--N 1.372 1.548 0 CA-C-O 122.337 1.065 . . . . 0.0 111.383 -176.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.5 t80 . . . . . 0 C--N 1.354 0.774 0 C-N-CA 127.124 2.17 . . . . 0.0 105.453 176.888 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 72.6 m95 . . . . . 0 N--CA 1.437 -1.089 0 N-CA-C 106.252 -1.758 . . . . 0.0 106.252 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.5 t -135.23 149.37 28.78 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 C-N-CA 127.472 2.309 . . . . 0.0 107.575 -173.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -95.75 136.2 36.47 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 126.279 1.832 . . . . 0.0 109.245 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -92.54 -55.89 3.23 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 124.987 1.315 . . . . 0.0 112.503 -172.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 6.0 p90 -168.88 176.88 5.25 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 -177.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -136.81 133.53 36.01 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 104.421 -2.437 . . . . 0.0 104.421 171.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.74 155.38 42.92 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.39 114.77 21.07 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 127.161 2.184 . . . . 0.0 105.216 173.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -166.69 155.0 10.14 Favored 'General case' 0 CA--C 1.476 -1.892 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 -163.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -97.29 108.44 21.16 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 104.162 -2.533 . . . . 0.0 104.162 171.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 t -123.37 98.42 5.55 Favored 'Isoleucine or valine' 0 C--N 1.364 1.211 1 N-CA-C 97.414 -5.032 . . . . 0.0 97.414 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -137.85 153.46 73.79 Favored Pre-proline 0 C--N 1.369 1.423 0 O-C-N 120.397 -1.44 . . . . 0.0 111.734 -167.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.19 140.94 38.43 Favored 'Trans proline' 0 C--N 1.367 1.534 1 C-N-CA 125.624 4.216 . . . . 0.0 113.908 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.31 57.8 mt . . . . . 0 C--N 1.365 1.265 1 C-N-CA 133.2 4.6 . . . . 0.0 115.988 179.53 . . . . . . . . 2 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.346 0 N-CA-C 108.531 -1.828 . . . . 0.0 108.531 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -127.66 143.53 51.15 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 125.799 1.639 . . . . 0.0 106.949 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -128.39 120.97 28.01 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 100.882 -3.748 . . . . 0.0 100.882 175.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -140.07 126.0 21.55 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 CA-C-O 122.87 1.319 . . . . 0.0 109.967 -166.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.295 0.1 OUTLIER -129.45 128.73 43.52 Favored 'General case' 0 C--N 1.369 1.414 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 171.61 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.4 t -139.75 157.16 70.4 Favored Pre-proline 0 C--N 1.347 0.49 0 C-N-CA 128.192 2.597 . . . . 0.0 106.715 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -71.71 144.89 45.12 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 123.814 3.009 . . . . 0.0 110.656 166.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.297 0.2 OUTLIER 6.01 22.99 0.0 OUTLIER 'General case' 0 C--N 1.359 0.98 2 C-N-CA 137.873 6.469 . . . . 0.0 125.376 -175.676 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -103.5 129.91 50.77 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 127.832 2.453 . . . . 0.0 109.414 175.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -105.61 15.5 26.87 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 127.279 2.232 . . . . 0.0 108.77 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.425 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 28.8 mmm180 -99.18 2.05 45.46 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 129.154 2.982 . . . . 0.0 118.113 -168.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.644 ' CD1' ' H ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -68.28 -73.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.139 0 C-N-CA 128.887 2.875 . . . . 0.0 114.704 173.397 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -120.96 124.51 45.08 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 126.512 1.925 . . . . 0.0 109.351 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -143.58 -71.33 0.3 Allowed 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 102.328 -3.212 . . . . 0.0 102.328 173.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -162.98 77.75 0.45 Allowed 'General case' 0 N--CA 1.448 -0.531 1 N-CA-C 98.983 -4.451 . . . . 0.0 98.983 173.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 82.5 mtp -149.16 -178.37 6.35 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 125.382 1.473 . . . . 0.0 108.595 -165.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -128.5 137.45 51.79 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 124.888 1.275 . . . . 0.0 108.411 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.6 t -129.54 146.55 34.0 Favored 'Isoleucine or valine' 0 C--N 1.358 0.965 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.5 pt -121.16 111.39 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 171.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.04 111.64 23.42 Favored 'General case' 0 C--N 1.373 1.587 0 C-N-CA 127.658 2.383 . . . . 0.0 104.8 173.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.508 ' HE ' ' HB3' ' A' ' 41' ' ' ASP . 98.2 mtt180 45.77 32.31 1.21 Allowed 'General case' 0 C--N 1.368 1.396 0 N-CA-C 118.549 2.796 . . . . 0.0 118.549 -177.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.54 5.41 65.05 Favored Glycine 0 C--N 1.361 1.958 0 C-N-CA 125.536 1.541 . . . . 0.0 115.744 -173.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -99.86 113.07 25.36 Favored 'General case' 0 C--N 1.365 1.246 0 CA-C-N 119.688 1.744 . . . . 0.0 109.797 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.494 ' H ' ' CD1' ' A' ' 114' ' ' ILE . 0.2 OUTLIER -79.2 114.17 19.58 Favored 'Isoleucine or valine' 0 C--N 1.365 1.272 0 C-N-CA 130.593 3.557 . . . . 0.0 115.022 -176.838 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 25.1 t -131.69 137.79 54.33 Favored 'Isoleucine or valine' 0 C--N 1.362 1.14 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.7 t -118.26 129.65 55.59 Favored 'General case' 0 C--N 1.366 1.324 0 N-CA-C 104.497 -2.408 . . . . 0.0 104.497 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -158.19 161.36 37.83 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 -170.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.11 136.36 40.88 Favored 'Isoleucine or valine' 0 C--N 1.369 1.444 0 C-N-CA 127.67 2.388 . . . . 0.0 110.074 174.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -162.82 -178.13 36.39 Favored Glycine 0 C--N 1.365 2.163 0 O-C-N 119.912 -1.742 . . . . 0.0 111.148 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -151.81 127.5 4.98 Favored Pre-proline 0 C--N 1.369 1.428 0 CA-C-N 118.481 1.14 . . . . 0.0 109.467 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -93.53 159.0 2.42 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.859 3.706 . . . . 0.0 114.148 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 15.0 m -130.2 134.36 62.75 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 C-N-CA 126.118 1.767 . . . . 0.0 107.219 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 . . . . . 0 C--N 1.366 1.3 0 O-C-N 120.588 -1.32 . . . . 0.0 111.674 178.794 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 . . . . . 0 C--O 1.225 -0.226 0 CA-C-O 122.155 0.978 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 17.8 tt -112.55 129.16 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 O-C-N 120.337 -1.477 . . . . 0.0 111.064 -174.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.9 p -108.12 126.26 52.56 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 174.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -124.09 135.42 53.53 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 105.288 -2.116 . . . . 0.0 105.288 -175.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.2 tt . . . . . 0 C--N 1.349 0.577 0 CA-C-O 122.39 1.09 . . . . 0.0 109.351 -173.335 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 . . . . . 0 N--CA 1.467 0.408 0 CA-C-O 121.132 0.491 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.35 131.2 44.75 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 C-N-CA 126.195 1.798 . . . . 0.0 106.313 175.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.1 mp -126.03 151.82 32.67 Favored 'Isoleucine or valine' 0 C--N 1.363 1.177 0 C-N-CA 124.981 1.312 . . . . 0.0 108.272 -176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.51 112.51 19.04 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 123.543 0.737 . . . . 0.0 111.585 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.453 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 77.5 m-85 -101.23 128.81 47.19 Favored 'General case' 0 C--N 1.363 1.178 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -138.2 168.94 18.68 Favored 'General case' 0 C--N 1.373 1.605 0 C-N-CA 125.569 1.548 . . . . 0.0 113.261 173.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.3 t -138.67 167.41 22.03 Favored 'General case' 0 C--N 1.369 1.456 0 C-N-CA 125.724 1.61 . . . . 0.0 112.512 176.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.37 1.457 0 C-N-CA 128.796 2.838 . . . . 0.0 104.459 177.88 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 84.8 m95 . . . . . 0 CA--C 1.539 0.548 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 m -143.25 156.19 17.05 Favored 'Isoleucine or valine' 0 C--N 1.364 1.21 0 C-N-CA 127.761 2.425 . . . . 0.0 106.181 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -85.15 146.2 27.24 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 126.204 1.802 . . . . 0.0 112.216 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -99.23 -56.34 2.44 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 125.695 1.598 . . . . 0.0 111.735 -175.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.453 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 15.7 p90 -166.91 171.83 10.88 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 -179.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.5 t -141.37 132.88 26.91 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 101.129 -3.656 . . . . 0.0 101.129 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.5 161.04 40.04 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -87.88 114.16 24.23 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 172.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.11 170.8 2.63 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 125.07 1.348 . . . . 0.0 107.463 -165.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . 0.279 44.7 t60 -141.04 130.74 24.16 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 123.82 1.771 . . . . 0.0 106.531 169.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.4 t -125.23 97.93 4.76 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 C-N-CA 128.625 2.77 . . . . 0.0 103.943 -166.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . 0.303 8.3 mt-30 -142.94 173.64 4.38 Favored Pre-proline 0 C--N 1.374 1.653 0 O-C-N 119.688 -1.882 . . . . 0.0 113.344 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -61.4 157.08 42.67 Favored 'Trans proline' 0 CA--C 1.561 1.826 1 C-N-CA 126.416 4.744 . . . . 0.0 118.308 178.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.258 14.0 tt . . . . . 0 C--N 1.367 1.367 0 C-N-CA 129.838 3.255 . . . . 0.0 119.501 -177.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.243 0 CA-C-O 122.344 0.969 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -108.95 148.16 31.14 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 127.165 2.186 . . . . 0.0 112.454 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -134.9 119.96 18.69 Favored 'General case' 0 C--N 1.362 1.139 0 N-CA-C 104.324 -2.473 . . . . 0.0 104.324 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mm -141.0 140.53 32.55 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 CA-C-N 114.434 -1.257 . . . . 0.0 112.762 -164.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.369 0.7 OUTLIER -131.31 137.76 48.94 Favored 'General case' 0 C--N 1.374 1.666 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 161.474 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.1 t -140.84 160.24 59.27 Favored Pre-proline 0 C--N 1.357 0.905 0 N-CA-C 105.28 -2.119 . . . . 0.0 105.28 175.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -66.87 131.25 25.12 Favored 'Trans proline' 0 C--N 1.365 1.416 0 C-N-CA 124.603 3.535 . . . . 0.0 109.755 162.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.432 1.6 t80 33.55 137.44 0.0 OUTLIER 'General case' 0 C--N 1.36 1.043 2 C-N-CA 135.349 5.46 . . . . 0.0 121.82 -172.986 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . 0.28 9.6 p-10 -58.88 90.22 0.01 OUTLIER 'General case' 0 C--N 1.367 1.349 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 -176.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -101.55 -124.84 0.18 Allowed 'General case' 0 C--N 1.354 0.789 0 C-N-CA 127.185 2.194 . . . . 0.0 105.678 173.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 73.3 mmt-85 -101.6 -51.84 3.36 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 119.548 -1.97 . . . . 0.0 115.562 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.452 ' HA ' ' CE1' ' A' ' 45' ' ' PHE 0.329 3.7 mp 71.01 -83.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.38 1.925 0 CA-C-N 121.718 2.054 . . . . 0.0 109.733 -174.445 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -110.04 -173.1 2.18 Favored 'General case' 0 C--N 1.348 0.524 1 C-N-CA 133.003 4.521 . . . . 0.0 109.449 173.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.8 tttm 94.91 56.71 0.0 OUTLIER 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.514 2.325 . . . . 0.0 111.656 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 67.6 tttt 80.26 38.78 0.09 Allowed 'General case' 0 C--N 1.365 1.257 0 C-N-CA 127.593 2.357 . . . . 0.0 110.768 -174.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 15.1 mmt -111.12 146.77 36.24 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 122.439 1.114 . . . . 0.0 110.028 -176.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -112.04 106.56 15.25 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 101.838 -3.393 . . . . 0.0 101.838 173.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.48 144.91 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.309 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.474 HG23 ' H ' ' A' ' 112' ' ' GLY . 30.7 mt -114.29 106.61 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.621 0 O-C-N 124.869 1.356 . . . . 0.0 107.968 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.27 83.54 4.25 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 169.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 58.66 44.24 17.68 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.083 2.153 . . . . 0.0 116.32 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.474 ' H ' HG23 ' A' ' 109' ' ' ILE . . . 92.87 23.25 25.99 Favored Glycine 0 C--N 1.36 1.862 0 C-N-CA 125.529 1.538 . . . . 0.0 116.324 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -118.69 101.83 8.4 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 125.589 1.555 . . . . 0.0 107.941 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.472 HD12 ' H ' ' A' ' 114' ' ' ILE . 0.1 OUTLIER -85.93 106.51 15.52 Favored 'Isoleucine or valine' 0 C--N 1.377 1.769 0 C-N-CA 127.488 2.315 . . . . 0.0 113.0 -177.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.8 t -118.76 132.89 67.31 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 O-C-N 120.201 -1.562 . . . . 0.0 109.016 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.2 m -99.96 118.37 36.22 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 125.912 1.685 . . . . 0.0 109.121 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.57 159.45 43.42 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 -174.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.41 136.57 60.41 Favored 'Isoleucine or valine' 0 C--N 1.362 1.113 0 C-N-CA 129.458 3.103 . . . . 0.0 109.07 -177.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 166.15 -168.51 39.89 Favored Glycine 0 C--N 1.366 2.207 0 N-CA-C 105.374 -3.09 . . . . 0.0 105.374 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -153.52 140.08 12.73 Favored Pre-proline 0 C--N 1.372 1.557 0 CA-C-N 121.354 2.577 . . . . 0.0 112.119 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.424 ' HA ' ' HB ' ' A' ' 133' ' ' ILE . 35.1 Cg_endo -93.55 159.69 2.4 Favored 'Trans proline' 0 CA--C 1.549 1.268 1 C-N-CA 126.552 4.834 . . . . 0.0 114.782 176.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 17.0 m -127.88 149.16 32.58 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 128.65 2.78 . . . . 0.0 107.918 174.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.361 1.1 0 O-C-N 119.07 -2.269 . . . . 0.0 112.165 176.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . 0.319 24.8 tt0 . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 13.0 mt -125.12 143.02 40.18 Favored 'Isoleucine or valine' 0 C--N 1.36 1.052 0 CA-C-O 123.606 1.67 . . . . 0.0 113.266 -171.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 9.7 t -102.72 134.77 45.54 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 127.806 2.442 . . . . 0.0 109.202 166.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -109.41 119.0 38.11 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 129.121 2.968 . . . . 0.0 103.273 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.424 ' HB ' ' HA ' ' A' ' 121' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.497 ' HB2' ' CE1' ' A' ' 71' ' ' HIS . 27.4 m-20 . . . . . 0 CA--C 1.5 -0.95 0 N-CA-C 103.37 -2.826 . . . . 0.0 103.37 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.2 m -96.73 144.24 10.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 O-C-N 121.323 -0.86 . . . . 0.0 111.557 -174.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.1 pt -147.62 160.72 7.91 Favored 'Isoleucine or valine' 0 C--N 1.371 1.527 0 C-N-CA 127.071 2.148 . . . . 0.0 108.624 178.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.1 m -117.64 127.78 54.29 Favored 'General case' 0 C--N 1.385 2.12 0 C-N-CA 124.058 0.943 . . . . 0.0 111.522 -177.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.478 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 77.3 m-85 -106.4 130.0 54.29 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.766 1.226 . . . . 0.0 112.991 178.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -129.42 155.63 45.38 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 128.258 2.623 . . . . 0.0 110.547 -175.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.3 m -135.68 155.75 49.92 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 126.036 1.734 . . . . 0.0 108.416 173.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 . . . . . 0 C--N 1.364 1.23 0 C-N-CA 127.619 2.368 . . . . 0.0 109.626 -176.621 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 29.2 m95 . . . . . 0 N--CA 1.444 -0.738 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.48 164.16 31.8 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -89.54 146.07 24.84 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 124.361 1.065 . . . . 0.0 110.547 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -97.05 -59.81 1.71 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 123.775 0.83 . . . . 0.0 109.622 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 4.4 p90 -167.18 171.73 10.59 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 t -132.22 132.85 43.5 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 101.661 -3.459 . . . . 0.0 101.661 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.2 164.04 38.17 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -177.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -87.82 113.93 23.95 Favored 'General case' 0 C--N 1.372 1.566 0 N-CA-C 105.235 -2.135 . . . . 0.0 105.235 168.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -169.26 170.5 8.54 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 104.98 -2.23 . . . . 0.0 104.98 -170.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 41' ' ' ASP 0.267 0.1 OUTLIER -146.1 136.21 23.67 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 169.625 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.0 t -108.62 101.54 12.7 Favored 'Isoleucine or valine' 0 C--N 1.365 1.263 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 -176.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -112.85 132.55 22.25 Favored Pre-proline 0 C--N 1.36 1.039 0 O-C-N 118.136 -2.852 . . . . 0.0 112.342 -170.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.04 128.76 13.41 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 122.799 2.333 . . . . 0.0 111.936 172.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.9 mt . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 178.79 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.479 -2.212 0 CA-C-O 122.771 1.206 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -123.09 126.86 47.87 Favored 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 125.101 1.36 . . . . 0.0 111.486 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -109.3 119.56 39.85 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 103.219 -2.882 . . . . 0.0 103.219 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.458 HG21 HG22 ' A' ' 102' ' ' ILE . 2.7 mp -129.47 148.88 33.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 O-C-N 119.895 -1.753 . . . . 0.0 112.176 -170.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.267 0.0 OUTLIER -129.39 139.55 51.64 Favored 'General case' 0 C--N 1.363 1.163 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 168.524 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 52.4 m -139.6 138.12 19.72 Favored Pre-proline 0 C--N 1.353 0.734 0 N-CA-C 101.392 -3.559 . . . . 0.0 101.392 170.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.54 125.04 12.26 Favored 'Trans proline' 0 C--N 1.365 1.404 0 CA-C-N 126.861 3.486 . . . . 0.0 108.202 169.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.416 0.5 OUTLIER 34.99 17.58 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.583 2 C-N-CA 135.516 5.526 . . . . 0.0 122.006 -170.702 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -103.54 128.58 50.74 Favored 'General case' 0 C--N 1.36 1.05 0 O-C-N 119.567 -1.958 . . . . 0.0 109.936 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -110.31 23.0 14.85 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 126.011 1.724 . . . . 0.0 113.327 -174.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.5 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 36.3 mmt180 -94.45 -50.08 5.38 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 116.691 2.108 . . . . 0.0 116.691 -171.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.458 HG22 HG21 ' A' ' 94' ' ' ILE . 4.1 mp -0.9 -71.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.379 1.862 1 C-N-CA 132.57 4.348 . . . . 0.0 121.372 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -124.59 112.1 16.43 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 126.317 1.847 . . . . 0.0 106.767 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 80.4 tttt 178.22 56.03 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.268 62.8 mttp 73.37 50.79 0.13 Allowed 'General case' 0 C--N 1.364 1.198 0 C-N-CA 128.635 2.774 . . . . 0.0 111.901 -175.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 23.5 ptp -160.81 -172.03 3.33 Favored 'General case' 0 C--N 1.361 1.102 0 O-C-N 121.989 -0.444 . . . . 0.0 111.913 -174.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -137.08 139.7 41.48 Favored 'General case' 0 C--N 1.362 1.138 0 CA-C-O 123.952 1.834 . . . . 0.0 115.684 -174.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.6 p -115.25 137.22 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-O 123.411 1.577 . . . . 0.0 109.082 176.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.1 tt -102.43 105.82 18.79 Favored 'Isoleucine or valine' 0 C--N 1.364 1.204 0 N-CA-C 101.036 -3.69 . . . . 0.0 101.036 163.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -96.82 106.78 19.15 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 129.555 3.142 . . . . 0.0 105.399 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? 45.21 32.99 1.05 Allowed 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 118.449 2.759 . . . . 0.0 118.449 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.24 4.71 64.29 Favored Glycine 0 C--N 1.367 2.281 0 C-N-CA 127.622 2.535 . . . . 0.0 116.54 -171.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -110.16 118.42 36.32 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 119.986 1.893 . . . . 0.0 109.139 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 10.7 tt -92.61 106.47 17.88 Favored 'Isoleucine or valine' 0 C--N 1.365 1.262 0 CA-C-O 123.709 1.718 . . . . 0.0 111.417 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.99 164.08 36.25 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 C-N-CA 129.379 3.072 . . . . 0.0 113.569 -173.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . 0.68 44.7 p 120.85 -118.77 0.0 OUTLIER 'General case' 0 C--N 1.376 1.752 1 N-CA-C 122.94 4.422 . . . . 0.0 122.94 161.701 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . 0.605 2.7 m-85 90.59 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.355 0.824 0 C-N-CA 129.378 3.071 . . . . 0.0 118.597 -175.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 10.9 mm -96.52 108.62 21.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 CA-C-N 122.606 2.457 . . . . 0.0 115.24 -175.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.62 174.85 21.6 Favored Glycine 0 C--N 1.368 2.354 0 C-N-CA 125.22 1.39 . . . . 0.0 114.079 173.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -135.01 134.54 21.8 Favored Pre-proline 0 C--N 1.371 1.521 0 C-N-CA 126.877 2.071 . . . . 0.0 112.62 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -91.4 141.43 2.77 Favored 'Trans proline' 0 C--N 1.367 1.548 0 C-N-CA 124.858 3.705 . . . . 0.0 116.835 -176.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.1 t -132.01 144.26 37.71 Favored 'Isoleucine or valine' 0 C--N 1.376 1.735 0 C-N-CA 127.811 2.444 . . . . 0.0 107.878 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.366 1.304 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 174.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . 0.371 14.7 tp10 . . . . . 0 N--CA 1.463 0.2 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.4 mm -106.47 125.51 62.26 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 O-C-N 119.385 -2.072 . . . . 0.0 112.871 -177.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 78.7 m -106.82 135.9 47.58 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 125.309 1.443 . . . . 0.0 108.015 171.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -121.29 129.26 53.03 Favored 'General case' 0 C--N 1.371 1.537 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 174.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 45.6 mm . . . . . 0 C--N 1.35 0.619 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 -178.602 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 C--O 1.24 0.558 0 CA-C-O 121.98 0.895 . . . . 0.0 113.262 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.5 t -97.37 115.69 37.78 Favored 'Isoleucine or valine' 0 C--N 1.376 1.749 0 C-N-CA 127.357 2.263 . . . . 0.0 104.985 174.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.419 ' CG2' HH12 ' A' ' 101' ' ' ARG 0.254 24.3 mt -111.77 166.83 5.79 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 O-C-N 120.15 -1.594 . . . . 0.0 109.898 -171.359 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.5 m -122.08 106.9 11.6 Favored 'General case' 0 C--N 1.372 1.546 0 O-C-N 119.92 -1.738 . . . . 0.0 113.133 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -82.06 139.22 34.59 Favored 'General case' 0 C--N 1.37 1.469 0 O-C-N 120.602 -1.311 . . . . 0.0 113.571 165.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -131.68 148.83 52.62 Favored 'General case' 0 C--N 1.381 1.974 0 C-N-CA 127.456 2.303 . . . . 0.0 109.432 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.3 t -121.93 166.14 14.88 Favored 'General case' 0 C--N 1.363 1.174 0 O-C-N 119.802 -1.811 . . . . 0.0 110.39 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.3 t80 . . . . . 0 C--N 1.358 0.974 0 C-N-CA 126.592 1.957 . . . . 0.0 109.18 -176.252 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.9 m95 . . . . . 0 N--CA 1.445 -0.684 0 CA-C-O 122.394 1.092 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.4 t -124.06 147.65 28.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 C-N-CA 126.486 1.914 . . . . 0.0 107.533 -173.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -57.36 127.39 31.77 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 128.443 2.697 . . . . 0.0 113.031 177.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -99.3 -59.31 1.75 Allowed 'General case' 0 C--N 1.359 0.99 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.41 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 41.8 p90 -163.42 164.87 24.43 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 t -126.88 132.8 50.84 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.63 ' HB3' ' HE ' ' A' ' 101' ' ' ARG . . . -156.72 165.55 35.92 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.66 -176.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.8 139.55 30.35 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 124.87 1.268 . . . . 0.0 111.93 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.413 ' HB1' ' CD ' ' A' ' 101' ' ' ARG . . . -172.93 170.73 4.44 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-O 122.503 1.144 . . . . 0.0 108.394 -172.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -103.06 107.17 17.87 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 103.885 -2.635 . . . . 0.0 103.885 166.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 t -116.18 106.44 20.36 Favored 'Isoleucine or valine' 0 C--N 1.365 1.264 1 N-CA-C 96.75 -5.278 . . . . 0.0 96.75 175.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -130.75 162.71 53.46 Favored Pre-proline 0 C--N 1.361 1.105 0 O-C-N 119.186 -2.197 . . . . 0.0 111.105 -171.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.2 144.28 46.09 Favored 'Trans proline' 0 C--N 1.358 1.053 0 C-N-CA 124.375 3.384 . . . . 0.0 111.931 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.359 1.016 0 C-N-CA 127.562 2.345 . . . . 0.0 115.338 -179.769 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.448 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -118.15 156.93 27.86 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 124.989 2.328 . . . . 0.0 107.59 174.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -125.26 120.92 32.57 Favored 'General case' 0 N--CA 1.428 -1.56 0 C-N-CA 130.717 3.607 . . . . 0.0 103.889 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.66 141.02 46.73 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 O-C-N 119.528 -1.982 . . . . 0.0 109.372 176.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -129.16 139.75 51.8 Favored 'General case' 0 C--N 1.363 1.184 0 N-CA-C 104.385 -2.45 . . . . 0.0 104.385 165.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.94 159.04 68.63 Favored Pre-proline 0 C--O 1.242 0.686 1 N-CA-C 97.857 -4.868 . . . . 0.0 97.857 171.759 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -67.24 124.84 12.64 Favored 'Trans proline' 0 C--N 1.362 1.268 0 C-N-CA 123.729 2.953 . . . . 0.0 109.179 172.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.449 ' H ' ' HA ' ' A' ' 130' ' ' ILE 0.329 0.1 OUTLIER 51.26 -166.99 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.508 1 C-N-CA 133.322 4.649 . . . . 0.0 116.804 -171.133 . . . . . . . . 5 4 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -80.96 90.65 5.96 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 129.37 3.068 . . . . 0.0 107.498 174.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -137.91 -67.7 0.47 Allowed 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 121.028 -1.045 . . . . 0.0 108.499 -172.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.63 ' HE ' ' HB3' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -97.78 -53.73 3.32 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -171.696 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -6.89 109.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.246 1 N-CA-C 124.154 4.872 . . . . 0.0 124.154 170.678 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -105.59 163.94 12.28 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 119.996 -1.69 . . . . 0.0 113.6 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -112.35 -106.69 0.37 Allowed 'General case' 0 C--N 1.364 1.227 0 C-N-CA 127.227 2.211 . . . . 0.0 110.845 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -79.44 86.91 5.09 Favored 'General case' 0 C--N 1.369 1.417 0 O-C-N 119.288 -2.133 . . . . 0.0 109.357 176.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.45 -169.09 1.5 Allowed 'General case' 0 C--N 1.356 0.852 0 CA-C-N 113.868 -1.515 . . . . 0.0 106.954 -162.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -139.92 164.41 30.06 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 123.107 1.432 . . . . 0.0 109.567 173.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.0 p -137.87 141.31 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.222 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.1 mm -109.4 105.4 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 N-CA-C 102.151 -3.277 . . . . 0.0 102.151 170.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -96.35 102.57 14.37 Favored 'General case' 0 N--CA 1.434 -1.273 0 C-N-CA 129.025 2.93 . . . . 0.0 108.464 175.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 52.47 32.84 12.06 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.942 2.497 . . . . 0.0 117.262 177.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.04 -1.04 69.9 Favored Glycine 0 C--N 1.362 2.01 0 C-N-CA 126.812 2.149 . . . . 0.0 116.652 -170.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -92.25 125.1 36.77 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 120.062 1.931 . . . . 0.0 111.662 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 21.0 pt -80.51 106.72 12.03 Favored 'Isoleucine or valine' 0 C--N 1.367 1.331 0 C-N-CA 128.676 2.79 . . . . 0.0 112.175 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 43.3 t -128.08 102.42 8.55 Favored 'Isoleucine or valine' 0 C--N 1.36 1.035 0 C-N-CA 125.371 1.469 . . . . 0.0 108.666 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 45.1 m -94.52 128.43 41.11 Favored 'General case' 0 C--N 1.379 1.855 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 173.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -141.56 158.98 43.15 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -176.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 6.1 pt -124.62 122.69 64.35 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 CA-C-N 114.366 -1.288 . . . . 0.0 107.722 173.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -170.93 -166.86 30.44 Favored Glycine 0 C--N 1.362 1.973 0 N-CA-C 110.174 -1.171 . . . . 0.0 110.174 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -154.79 146.23 16.78 Favored Pre-proline 0 C--N 1.363 1.166 0 C-N-CA 125.579 1.551 . . . . 0.0 108.673 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -90.03 158.41 4.87 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 124.148 3.232 . . . . 0.0 113.826 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.4 p -132.23 136.89 55.69 Favored 'Isoleucine or valine' 0 C--N 1.363 1.17 0 C-N-CA 125.91 1.684 . . . . 0.0 109.232 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 . . . . . 0 C--N 1.364 1.216 0 C-N-CA 125.706 1.602 . . . . 0.0 112.156 177.114 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 121.611 0.719 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.449 ' HA ' ' H ' ' A' ' 98' ' ' TYR . 20.4 tt -150.39 119.06 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-O 123.048 1.404 . . . . 0.0 112.208 -178.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.286 67.9 p -99.37 141.88 31.58 Favored 'General case' 0 C--N 1.368 1.412 0 CA-C-O 123.753 1.739 . . . . 0.0 109.053 161.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -120.63 137.59 54.36 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 111.177 -2.738 . . . . 0.0 105.017 171.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.6 0 CA-C-O 122.995 1.379 . . . . 0.0 108.225 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 . . . . . 0 N--CA 1.471 0.617 0 CA-C-O 120.925 0.393 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 m -97.18 119.77 45.66 Favored 'Isoleucine or valine' 0 C--N 1.366 1.302 0 CA-C-O 124.611 2.148 . . . . 0.0 112.367 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.28 163.47 20.62 Favored 'Isoleucine or valine' 0 C--N 1.36 1.043 0 C-N-CA 126.984 2.114 . . . . 0.0 112.465 -173.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.5 m -119.17 112.89 20.07 Favored 'General case' 0 C--N 1.379 1.851 0 C-N-CA 123.866 0.866 . . . . 0.0 110.527 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.473 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 86.8 m-85 -102.16 128.25 48.74 Favored 'General case' 0 C--N 1.36 1.05 0 O-C-N 121.501 -0.749 . . . . 0.0 111.192 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -121.69 164.88 16.63 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 127.329 2.252 . . . . 0.0 111.48 -176.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.8 t -147.68 164.31 33.94 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.009 1.723 . . . . 0.0 108.914 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.364 1.198 0 C-N-CA 125.908 1.683 . . . . 0.0 110.231 -176.828 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 74.6 m95 . . . . . 0 CA--C 1.542 0.67 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 m -137.28 169.76 18.94 Favored 'Isoleucine or valine' 0 C--N 1.363 1.158 0 C-N-CA 125.343 1.457 . . . . 0.0 108.68 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -95.55 144.29 26.14 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 124.326 1.05 . . . . 0.0 109.6 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -91.18 -53.66 4.27 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 125.171 1.388 . . . . 0.0 110.424 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.473 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 3.2 p90 -167.94 172.88 8.59 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 105.998 -1.853 . . . . 0.0 105.998 -178.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.5 p -132.82 132.33 42.05 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 100.295 -3.965 . . . . 0.0 100.295 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.28 164.83 36.06 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 -174.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.94 114.42 21.21 Favored 'General case' 0 C--N 1.371 1.518 0 N-CA-C 106.344 -1.724 . . . . 0.0 106.344 167.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -166.57 142.09 4.49 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 121.29 -0.881 . . . . 0.0 110.346 -164.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -116.31 120.31 38.5 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.249 -1.532 . . . . 0.0 110.92 175.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.456 HG11 ' CD2' ' A' ' 92' ' ' TYR . 59.2 t -115.76 104.38 16.66 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 N-CA-C 102.686 -3.079 . . . . 0.0 102.686 173.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -119.5 152.19 52.64 Favored Pre-proline 0 C--N 1.366 1.31 0 CA-C-N 122.371 2.351 . . . . 0.0 112.695 -176.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.6 147.69 51.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.467 3.444 . . . . 0.0 115.302 -177.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.367 1.348 0 C-N-CA 127.558 2.343 . . . . 0.0 112.635 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.944 0 N-CA-C 104.974 -3.251 . . . . 0.0 104.974 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.456 ' CD2' HG11 ' A' ' 72' ' ' VAL . 17.2 m-85 -119.03 137.44 53.54 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -177.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -115.86 122.95 46.9 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.364 1.466 . . . . 0.0 107.675 174.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.428 HG13 ' H ' ' A' ' 133' ' ' ILE . 0.6 OUTLIER -115.08 143.57 24.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 O-C-N 119.992 -1.692 . . . . 0.0 111.221 -174.136 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.407 ' C ' ' HG1' ' A' ' 96' ' ' THR . 0.0 OUTLIER -125.41 115.41 20.24 Favored 'General case' 0 C--N 1.366 1.322 0 N-CA-C 101.461 -3.533 . . . . 0.0 101.461 171.316 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.407 ' HG1' ' C ' ' A' ' 95' ' ' TYR . 62.7 m -141.45 148.31 50.02 Favored Pre-proline 0 C--N 1.355 0.84 0 O-C-N 118.56 -2.588 . . . . 0.0 107.86 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.83 129.35 17.37 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 124.619 3.546 . . . . 0.0 111.344 171.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.383 1.6 t80 20.69 17.41 0.0 OUTLIER 'General case' 0 C--N 1.365 1.247 2 C-N-CA 136.04 5.736 . . . . 0.0 122.935 -172.843 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -100.69 134.68 43.29 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 126.422 1.889 . . . . 0.0 111.391 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.56 23.39 9.61 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.646 1.978 . . . . 0.0 108.501 177.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -97.19 -3.46 40.87 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.986 2.115 . . . . 0.0 114.554 -172.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.404 ' CG2' HG22 ' A' ' 72' ' ' VAL . 4.4 mp -58.68 -72.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 130.192 3.397 . . . . 0.0 114.539 -178.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -130.37 166.49 20.32 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.1 tptm 131.59 55.92 0.0 OUTLIER 'General case' 0 C--N 1.352 0.694 0 C-N-CA 130.946 3.698 . . . . 0.0 105.481 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.275 72.7 tttt 89.95 50.74 0.01 OUTLIER 'General case' 0 C--N 1.365 1.248 0 C-N-CA 128.541 2.736 . . . . 0.0 114.582 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.4 ptp -155.78 175.23 14.19 Favored 'General case' 0 C--N 1.373 1.587 0 O-C-N 120.643 -1.286 . . . . 0.0 113.997 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -104.76 123.28 47.38 Favored 'General case' 0 C--N 1.378 1.82 0 O-C-N 119.831 -1.793 . . . . 0.0 112.433 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.406 ' HB ' ' HB ' ' A' ' 115' ' ' VAL . 54.2 t -115.83 124.85 72.65 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 O-C-N 120.327 -1.483 . . . . 0.0 111.946 -172.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 35.1 mm -112.98 107.06 22.02 Favored 'Isoleucine or valine' 0 C--N 1.378 1.81 0 CA-C-O 122.087 0.946 . . . . 0.0 111.428 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -95.66 91.53 6.16 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 129.728 3.211 . . . . 0.0 109.28 171.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 48.06 36.08 5.97 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 128.761 2.824 . . . . 0.0 116.881 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.74 -1.66 71.84 Favored Glycine 0 C--N 1.359 1.831 0 C-N-CA 125.907 1.718 . . . . 0.0 117.001 -170.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.38 127.95 38.05 Favored 'General case' 0 C--N 1.367 1.333 0 CA-C-N 120.278 2.039 . . . . 0.0 110.276 177.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.0 mm -84.04 120.8 35.58 Favored 'Isoleucine or valine' 0 C--N 1.366 1.291 0 C-N-CA 126.578 1.951 . . . . 0.0 113.908 -175.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.406 ' HB ' ' HB ' ' A' ' 108' ' ' VAL . 59.9 t -115.77 128.32 73.06 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 N-CA-C 104.651 -2.351 . . . . 0.0 104.651 174.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.4 m -110.2 109.67 20.24 Favored 'General case' 0 C--N 1.371 1.537 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -168.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . 0.362 2.6 m-85 64.41 -67.56 0.11 Allowed 'General case' 0 C--N 1.363 1.172 1 N-CA-C 122.933 4.42 . . . . 0.0 122.933 162.739 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 23.7 pt -77.96 137.55 21.97 Favored 'Isoleucine or valine' 0 C--N 1.362 1.126 0 N-CA-C 119.388 3.107 . . . . 0.0 119.388 -170.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.97 151.59 7.13 Favored Glycine 0 C--N 1.36 1.909 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 170.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -114.56 139.5 24.07 Favored Pre-proline 0 C--N 1.366 1.283 0 CA-C-N 119.929 1.865 . . . . 0.0 111.983 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -88.17 144.24 5.92 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 125.101 3.867 . . . . 0.0 116.297 -176.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.0 t -132.49 135.84 57.07 Favored 'Isoleucine or valine' 0 C--N 1.37 1.481 0 C-N-CA 128.45 2.7 . . . . 0.0 109.458 174.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 . . . . . 0 C--N 1.367 1.34 0 N-CA-C 104.549 -2.389 . . . . 0.0 104.549 171.084 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 . . . . . 0 CA--C 1.528 0.129 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.7 tp -97.99 131.01 45.89 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 C-N-CA 125.793 1.637 . . . . 0.0 113.552 -176.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.1 m -123.13 141.39 52.02 Favored 'General case' 0 C--N 1.365 1.247 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -124.91 138.48 54.24 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 126.358 1.863 . . . . 0.0 111.231 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.428 ' H ' HG13 ' A' ' 94' ' ' ILE 0.277 0.7 OUTLIER . . . . . 0 C--N 1.355 0.839 0 O-C-N 119.423 -2.048 . . . . 0.0 105.903 174.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 N--CA 1.463 0.202 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -96.55 133.18 38.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-O 124.242 1.972 . . . . 0.0 112.606 -173.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.8 mt -128.56 142.16 44.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.085 0 C-N-CA 128.359 2.664 . . . . 0.0 105.445 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.6 113.69 26.51 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 124.601 1.161 . . . . 0.0 109.447 -177.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -101.24 123.98 46.22 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -172.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -121.27 157.15 30.96 Favored 'General case' 0 C--N 1.38 1.896 0 C-N-CA 126.891 2.076 . . . . 0.0 112.195 -177.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.1 p -134.3 154.75 51.13 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 126.464 1.906 . . . . 0.0 112.74 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.363 1.188 0 N-CA-C 103.119 -2.919 . . . . 0.0 103.119 178.1 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 99.3 m95 . . . . . 0 N--CA 1.451 -0.419 0 CA-C-O 122.695 1.236 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.3 p -143.41 159.18 17.13 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -84.0 139.84 32.28 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.642 1.577 . . . . 0.0 108.221 173.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -92.28 -51.74 5.01 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 124.304 1.042 . . . . 0.0 108.864 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -172.08 175.35 3.79 Favored 'General case' 0 C--N 1.361 1.08 0 N-CA-C 105.796 -1.928 . . . . 0.0 105.796 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.6 t -136.05 132.81 36.69 Favored 'General case' 0 CA--C 1.512 -0.504 1 N-CA-C 99.772 -4.159 . . . . 0.0 99.772 176.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.46 164.27 37.62 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -176.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.57 113.75 22.73 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 169.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -163.43 169.18 19.27 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.19 -1.368 . . . . 0.0 108.29 -167.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -129.45 117.25 20.23 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 125.403 1.481 . . . . 0.0 111.008 174.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.405 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 93.2 t -109.4 99.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.376 1.734 0 C-N-CA 129.037 2.935 . . . . 0.0 105.816 172.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -118.63 135.87 23.87 Favored Pre-proline 0 C--N 1.368 1.404 0 C-N-CA 128.096 2.558 . . . . 0.0 111.347 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.57 155.47 59.22 Favored 'Trans proline' 0 CA--C 1.555 1.557 0 C-N-CA 125.088 3.859 . . . . 0.0 116.154 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.367 1.5 mt . . . . . 0 C--N 1.376 1.732 0 C-N-CA 128.691 2.797 . . . . 0.0 111.998 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.486 -1.754 0 CA-C-O 121.486 0.492 . . . . 0.0 113.794 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -130.28 148.98 52.16 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -107.14 118.55 37.0 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 100.867 -3.753 . . . . 0.0 100.867 174.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 72' ' ' VAL . 49.5 mm -130.33 137.48 56.21 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.437 0 CA-C-N 114.328 -1.305 . . . . 0.0 109.47 -170.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -127.56 117.86 22.86 Favored 'General case' 0 C--N 1.358 0.948 1 N-CA-C 99.962 -4.088 . . . . 0.0 99.962 164.106 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.9 m -138.31 122.67 11.74 Favored Pre-proline 0 C--N 1.357 0.896 0 N-CA-C 104.641 -2.355 . . . . 0.0 104.641 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -62.76 124.87 14.87 Favored 'Trans proline' 0 C--N 1.386 2.515 0 C-N-CA 124.467 3.445 . . . . 0.0 110.425 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.414 5.3 t80 20.29 26.88 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.276 2 C-N-CA 132.974 4.51 . . . . 0.0 121.858 -168.532 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -103.71 126.26 50.73 Favored 'General case' 0 C--N 1.361 1.102 0 O-C-N 119.776 -1.828 . . . . 0.0 108.378 174.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.57 9.83 40.84 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 126.925 2.09 . . . . 0.0 109.465 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -102.44 0.72 34.25 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 120.187 3.403 . . . . 0.0 120.187 -170.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.404 HD13 HG22 ' A' ' 72' ' ' VAL . 1.1 pp -63.38 -46.46 95.33 Favored 'Isoleucine or valine' 0 C--N 1.389 2.322 0 CA-C-N 125.717 3.871 . . . . 0.0 113.685 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -133.84 113.33 12.13 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 128.042 2.537 . . . . 0.0 110.211 172.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -169.61 57.62 0.04 OUTLIER 'General case' 0 C--N 1.347 0.484 0 N-CA-C 102.586 -3.116 . . . . 0.0 102.586 175.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt 72.5 65.25 0.12 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 130.463 3.505 . . . . 0.0 110.755 -174.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.7 mmt -133.2 171.56 13.85 Favored 'General case' 0 C--N 1.363 1.17 0 CA-C-O 122.645 1.212 . . . . 0.0 112.93 -170.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -129.0 130.85 47.18 Favored 'General case' 0 C--N 1.367 1.36 0 N-CA-C 104.502 -2.407 . . . . 0.0 104.502 170.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.51 151.01 35.22 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 O-C-N 119.619 -1.925 . . . . 0.0 109.235 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.8 mt -112.16 107.79 23.85 Favored 'Isoleucine or valine' 0 C--N 1.363 1.16 0 N-CA-C 105.613 -1.995 . . . . 0.0 105.613 170.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -97.81 88.25 4.24 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 131.07 3.748 . . . . 0.0 106.527 172.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 58.78 39.9 23.63 Favored 'General case' 0 C--N 1.366 1.318 0 N-CA-C 118.286 2.698 . . . . 0.0 118.286 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.89 -9.49 75.35 Favored Glycine 0 C--N 1.358 1.757 0 C-N-CA 126.294 1.902 . . . . 0.0 114.843 -175.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -89.07 121.41 31.38 Favored 'General case' 0 C--N 1.359 1.019 0 C-N-CA 125.037 1.335 . . . . 0.0 110.212 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 24.9 pt -90.31 120.56 39.37 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 C-N-CA 126.609 1.963 . . . . 0.0 110.645 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.36 137.37 57.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 C-N-CA 127.231 2.213 . . . . 0.0 108.226 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.0 t -130.24 132.27 45.89 Favored 'General case' 0 C--N 1.365 1.277 0 N-CA-C 104.1 -2.555 . . . . 0.0 104.1 173.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.38 154.36 12.14 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -171.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 68.8 mt -81.23 -71.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.732 0 C-N-CA 125.713 1.605 . . . . 0.0 111.497 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.4 168.69 40.17 Favored Glycine 0 C--N 1.368 2.333 0 N-CA-C 119.271 2.469 . . . . 0.0 119.271 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -162.57 79.03 1.85 Allowed Pre-proline 0 C--N 1.37 1.48 0 C-N-CA 125.086 1.354 . . . . 0.0 113.183 177.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -77.13 137.24 17.0 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 125.217 3.945 . . . . 0.0 116.097 -174.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.0 t -112.27 123.46 68.02 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 C-N-CA 126.425 1.89 . . . . 0.0 108.042 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.364 1.209 0 C-N-CA 126.787 2.035 . . . . 0.0 109.284 178.871 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 46.1 mm -114.34 126.18 71.8 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 O-C-N 119.252 -2.155 . . . . 0.0 114.808 -170.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 96.9 m -116.05 127.07 54.59 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 104.301 -2.481 . . . . 0.0 104.301 167.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -124.13 137.48 54.55 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 125.742 1.617 . . . . 0.0 112.028 -172.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.304 0.3 OUTLIER . . . . . 0 C--N 1.36 1.03 0 O-C-N 119.687 -1.883 . . . . 0.0 107.638 176.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 C--O 1.235 0.309 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.17 115.33 36.53 Favored 'Isoleucine or valine' 0 C--N 1.359 0.983 0 CA-C-O 123.445 1.593 . . . . 0.0 110.057 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.262 1.0 OUTLIER -118.03 171.36 6.44 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 C-N-CA 127.189 2.195 . . . . 0.0 110.821 -172.899 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.4 m -109.23 117.09 33.21 Favored 'General case' 0 C--N 1.381 1.951 0 CA-C-N 120.948 1.703 . . . . 0.0 112.409 -176.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 3.1 m-85 -104.46 133.57 49.12 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 125.387 1.475 . . . . 0.0 111.161 -176.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -124.19 160.05 28.75 Favored 'General case' 0 C--N 1.384 2.084 0 C-N-CA 129.482 3.113 . . . . 0.0 109.845 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 t -142.42 161.07 38.99 Favored 'General case' 0 C--N 1.368 1.377 0 O-C-N 120.253 -1.529 . . . . 0.0 112.322 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 . . . . . 0 C--N 1.359 0.998 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 174.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 60.0 m95 . . . . . 0 N--CA 1.442 -0.841 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.6 m -141.09 159.17 23.08 Favored 'Isoleucine or valine' 0 C--N 1.365 1.257 0 C-N-CA 125.27 1.428 . . . . 0.0 108.546 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -96.09 129.35 43.41 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 127.859 2.464 . . . . 0.0 107.058 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -91.65 -63.13 1.29 Allowed 'General case' 0 C--N 1.358 0.95 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -171.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -163.28 176.81 9.55 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -171.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.2 t -126.67 132.62 51.15 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 104.481 -2.414 . . . . 0.0 104.481 169.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.26 165.06 36.92 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 -174.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.91 114.74 20.72 Favored 'General case' 0 C--N 1.365 1.279 0 CA-C-O 124.499 2.095 . . . . 0.0 113.667 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -163.54 169.69 18.37 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.197 -1.365 . . . . 0.0 108.272 -175.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -122.63 106.77 11.27 Favored 'General case' 0 N--CA 1.442 -0.836 1 N-CA-C 100.009 -4.071 . . . . 0.0 100.009 169.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.42 96.4 4.57 Favored 'Isoleucine or valine' 0 C--N 1.365 1.247 0 N-CA-C 101.101 -3.666 . . . . 0.0 101.101 -172.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -121.65 151.11 56.63 Favored Pre-proline 0 C--N 1.375 1.709 0 CA-C-N 121.962 2.164 . . . . 0.0 115.158 -170.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -71.52 152.82 60.3 Favored 'Trans proline' 0 C--N 1.367 1.528 0 C-N-CA 124.453 3.435 . . . . 0.0 114.272 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.0 tt . . . . . 0 C--N 1.368 1.374 0 CA-C-O 124.831 2.253 . . . . 0.0 114.354 -178.351 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.487 -1.662 0 CA-C-O 122.464 1.036 . . . . 0.0 113.072 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.1 m-30 -116.36 162.02 18.17 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 126.689 1.995 . . . . 0.0 113.359 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -132.52 119.39 20.49 Favored 'General case' 0 C--N 1.364 1.208 0 N-CA-C 103.141 -2.911 . . . . 0.0 103.141 163.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -142.47 134.56 26.11 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 O-C-N 119.726 -1.859 . . . . 0.0 110.287 -167.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -131.66 150.34 52.18 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 124.952 1.301 . . . . 0.0 110.175 173.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 t -141.13 153.7 67.1 Favored Pre-proline 0 C--N 1.351 0.658 0 N-CA-C 104.137 -2.542 . . . . 0.0 104.137 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.42 126.08 10.08 Favored 'Trans proline' 0 CA--C 1.55 1.28 0 CA-C-N 125.73 3.082 . . . . 0.0 110.311 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.402 0.3 OUTLIER 19.64 20.42 0.0 OUTLIER 'General case' 0 C--N 1.367 1.357 2 C-N-CA 137.03 6.132 . . . . 0.0 122.939 -175.658 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -104.44 150.6 24.41 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 128.446 2.698 . . . . 0.0 109.802 174.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -110.24 64.33 0.61 Allowed 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.348 -1.47 . . . . 0.0 107.459 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -76.58 -49.91 15.17 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.656 2.382 . . . . 0.0 111.265 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.04 131.39 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.2 0 C-N-CA 130.849 3.66 . . . . 0.0 112.983 174.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -135.44 -171.86 2.94 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -166.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -97.61 128.58 44.43 Favored 'General case' 0 C--N 1.365 1.251 0 C-N-CA 130.222 3.409 . . . . 0.0 105.248 170.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 79.32 53.87 0.02 OUTLIER 'General case' 0 C--N 1.362 1.151 0 C-N-CA 128.986 2.914 . . . . 0.0 109.085 -173.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.1 tpt -124.77 149.63 47.14 Favored 'General case' 0 C--N 1.364 1.233 0 CA-C-O 124.301 2.001 . . . . 0.0 113.09 -171.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -136.27 126.18 25.87 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 102.557 -3.127 . . . . 0.0 102.557 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.1 t -129.27 140.34 49.43 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 O-C-N 119.389 -2.07 . . . . 0.0 105.671 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 51.3 mt -99.17 104.28 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 N-CA-C 103.661 -2.718 . . . . 0.0 103.661 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -96.68 93.54 6.78 Favored 'General case' 0 N--CA 1.433 -1.299 0 C-N-CA 129.135 2.974 . . . . 0.0 110.365 175.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . 0.257 21.9 ttm180 52.35 42.92 31.23 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 128.73 2.812 . . . . 0.0 116.89 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.74 -6.41 77.07 Favored Glycine 0 C--N 1.36 1.884 0 C-N-CA 126.353 1.93 . . . . 0.0 116.5 -175.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -94.28 126.5 39.57 Favored 'General case' 0 C--N 1.36 1.053 0 CA-C-N 119.895 1.847 . . . . 0.0 110.013 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.8 mm -94.72 106.8 18.59 Favored 'Isoleucine or valine' 0 C--N 1.371 1.522 0 C-N-CA 124.142 0.977 . . . . 0.0 109.313 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.23 148.22 27.22 Favored 'Isoleucine or valine' 0 C--N 1.367 1.335 0 C-N-CA 125.547 1.539 . . . . 0.0 112.27 -176.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.3 p -111.93 142.25 44.57 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 128.853 2.861 . . . . 0.0 115.724 -176.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -156.16 157.19 35.52 Favored 'General case' 0 C--N 1.368 1.378 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 176.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.3 pt -140.64 102.64 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.37 1.481 0 C-N-CA 125.714 1.606 . . . . 0.0 106.792 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -147.31 161.45 28.49 Favored Glycine 0 C--N 1.359 1.842 0 O-C-N 119.178 -2.201 . . . . 0.0 114.826 -172.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -107.32 138.83 20.02 Favored Pre-proline 0 C--N 1.357 0.917 0 C-N-CA 126.471 1.908 . . . . 0.0 110.309 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -85.7 154.65 10.27 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 123.958 3.105 . . . . 0.0 115.693 -172.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 18.2 t -130.42 139.52 51.14 Favored 'Isoleucine or valine' 0 C--N 1.367 1.33 0 C-N-CA 128.291 2.636 . . . . 0.0 109.112 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--N 1.368 1.411 0 C-N-CA 125.943 1.697 . . . . 0.0 109.849 174.646 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 121.694 0.759 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.8 mt -111.57 138.45 40.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 O-C-N 120.506 -1.371 . . . . 0.0 111.347 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.96 126.86 54.37 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 128.495 2.718 . . . . 0.0 105.747 167.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 74.0 ttt-85 -124.3 138.54 54.38 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 127.07 2.148 . . . . 0.0 108.972 -177.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 16.9 tt . . . . . 0 N--CA 1.444 -0.757 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 174.429 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.221 -0.445 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 m -116.95 127.14 74.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 126.363 1.865 . . . . 0.0 106.238 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.0 pt -139.43 167.91 19.19 Favored 'Isoleucine or valine' 0 C--N 1.369 1.453 0 O-C-N 120.707 -1.246 . . . . 0.0 113.021 -174.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 m -114.55 116.72 29.25 Favored 'General case' 0 C--N 1.377 1.793 0 C-N-CA 125.864 1.666 . . . . 0.0 111.965 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 92.4 m-85 -98.64 135.61 39.91 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 124.51 1.124 . . . . 0.0 111.794 177.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -136.66 171.28 14.72 Favored 'General case' 0 C--N 1.376 1.738 0 C-N-CA 126.351 1.86 . . . . 0.0 112.83 -173.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 t -136.97 141.44 42.6 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 125.889 1.675 . . . . 0.0 107.987 172.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 t80 . . . . . 0 C--N 1.357 0.914 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 171.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 30.7 m95 . . . . . 0 N--CA 1.442 -0.83 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.4 p -141.01 153.55 20.59 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -95.03 133.19 39.08 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 126.194 1.798 . . . . 0.0 107.39 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -86.17 -53.62 4.94 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 125.483 1.513 . . . . 0.0 111.109 -174.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.404 ' CZ ' ' CD1' ' A' ' 45' ' ' PHE . 7.2 p90 -170.7 175.27 4.65 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.2 m -141.36 133.07 27.21 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 100.961 -3.718 . . . . 0.0 100.961 175.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.12 163.71 39.3 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-O 122.221 1.01 . . . . 0.0 112.324 -175.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.59 112.8 19.82 Favored 'General case' 0 C--N 1.37 1.479 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 171.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -169.45 169.86 8.66 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 123.269 1.509 . . . . 0.0 107.286 -168.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -144.2 131.45 20.74 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 120.335 -1.478 . . . . 0.0 109.944 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.494 ' HA ' ' HB ' ' A' ' 94' ' ' ILE . 58.0 t -114.53 99.18 8.04 Favored 'Isoleucine or valine' 0 C--N 1.367 1.335 0 C-N-CA 128.255 2.622 . . . . 0.0 105.141 -177.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -106.03 137.37 19.35 Favored Pre-proline 0 C--N 1.357 0.9 0 C-N-CA 127.239 2.216 . . . . 0.0 110.303 -174.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -71.83 155.49 58.03 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 124.36 3.373 . . . . 0.0 114.468 -176.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.7 pt . . . . . 0 C--N 1.364 1.221 0 O-C-N 120.615 -1.303 . . . . 0.0 113.5 176.873 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.486 -1.757 0 CA-C-O 122.0 0.778 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.417 ' CD2' HG11 ' A' ' 72' ' ' VAL . 10.3 m-85 -134.94 132.84 38.91 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 122.473 1.13 . . . . 0.0 110.714 -178.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -99.8 120.1 39.21 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 128.88 2.872 . . . . 0.0 104.987 174.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.494 ' HB ' ' HA ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -147.97 143.87 19.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 O-C-N 120.755 -1.216 . . . . 0.0 111.542 -171.412 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.375 2.4 p90 -132.54 148.09 52.37 Favored 'General case' 0 C--N 1.367 1.328 0 CA-C-O 121.722 0.772 . . . . 0.0 109.05 162.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.2 t -140.44 163.2 45.06 Favored Pre-proline 0 C--N 1.358 0.942 0 N-CA-C 104.551 -2.388 . . . . 0.0 104.551 174.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -69.39 142.8 50.59 Favored 'Trans proline' 0 CA--C 1.561 1.83 0 C-N-CA 123.228 2.619 . . . . 0.0 109.961 158.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.315 0.3 OUTLIER 10.24 19.81 0.0 OUTLIER 'General case' 0 C--N 1.356 0.857 2 C-N-CA 137.232 6.213 . . . . 0.0 125.933 -174.765 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -103.25 131.38 50.34 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 126.547 1.939 . . . . 0.0 109.841 176.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -107.37 28.28 8.26 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 126.674 1.99 . . . . 0.0 113.807 -175.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 87.8 mmt-85 -100.72 -27.7 13.22 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 120.837 -1.164 . . . . 0.0 112.948 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . 0.301 0.7 OUTLIER 7.35 -77.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.377 1.769 1 C-N-CA 135.928 5.691 . . . . 0.0 119.396 166.313 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . 0.259 9.4 p-10 -132.3 113.58 13.39 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 103.86 -2.644 . . . . 0.0 103.86 159.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -142.08 -70.64 0.34 Allowed 'General case' 0 C--N 1.357 0.892 0 O-C-N 120.093 -1.63 . . . . 0.0 112.6 -173.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -173.55 53.87 0.02 OUTLIER 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.539 1.536 . . . . 0.0 107.655 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.406 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 13.3 mtt -157.7 -148.14 0.2 Allowed 'General case' 0 C--N 1.362 1.121 0 C-N-CA 124.103 0.961 . . . . 0.0 110.167 -165.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -137.69 163.67 30.73 Favored 'General case' 0 C--N 1.378 1.817 0 CA-C-O 122.739 1.257 . . . . 0.0 111.673 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.8 p -149.06 151.7 12.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 O-C-N 119.108 -2.245 . . . . 0.0 108.348 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 46.0 mt -112.54 106.24 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.189 0 N-CA-C 103.671 -2.715 . . . . 0.0 103.671 171.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -96.77 99.6 11.18 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.731 2.012 . . . . 0.0 107.632 172.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 54.36 32.62 16.77 Favored 'General case' 0 C--N 1.366 1.308 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.61 -4.19 75.82 Favored Glycine 0 C--N 1.36 1.885 0 C-N-CA 125.503 1.525 . . . . 0.0 114.803 -171.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -93.62 114.69 27.07 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 124.984 1.314 . . . . 0.0 108.5 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 16.7 pt -81.5 116.11 25.21 Favored 'Isoleucine or valine' 0 C--N 1.366 1.294 0 C-N-CA 126.937 2.095 . . . . 0.0 110.434 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 87.7 t -120.77 128.29 76.03 Favored 'Isoleucine or valine' 0 C--N 1.363 1.175 0 C-N-CA 126.865 2.066 . . . . 0.0 110.324 -172.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 p -87.22 116.91 25.63 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 131.073 3.749 . . . . 0.0 110.364 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' A' ' 106' ' ' MET 0.258 0.5 OUTLIER -125.26 150.09 47.39 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 120.824 3.639 . . . . 0.0 120.824 -172.361 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 16.8 tt -144.67 149.32 17.26 Favored 'Isoleucine or valine' 0 C--N 1.372 1.559 0 C-N-CA 130.451 3.5 . . . . 0.0 105.832 172.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 174.54 -175.67 46.82 Favored Glycine 0 C--N 1.369 2.38 0 CA-C-N 120.282 1.401 . . . . 0.0 113.163 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -143.66 120.32 6.58 Favored Pre-proline 0 C--N 1.366 1.298 0 CA-C-O 115.78 -2.057 . . . . 0.0 106.299 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -94.36 159.18 2.03 Favored 'Trans proline' 0 C--N 1.351 0.699 1 C-N-CA 125.355 4.037 . . . . 0.0 113.798 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 10.7 m -126.06 140.16 49.43 Favored 'Isoleucine or valine' 0 C--N 1.363 1.186 0 C-N-CA 125.258 1.423 . . . . 0.0 107.647 172.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 . . . . . 0 C--N 1.364 1.226 0 O-C-N 120.586 -1.321 . . . . 0.0 112.971 178.675 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 CA--C 1.533 0.296 0 CA-C-O 123.291 1.52 . . . . 0.0 114.814 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 13.0 tt -113.41 127.91 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-O 123.389 1.566 . . . . 0.0 110.881 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 p -107.66 119.24 38.89 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 127.096 2.158 . . . . 0.0 105.568 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -124.32 137.61 54.47 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 126.531 1.932 . . . . 0.0 107.222 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 14.8 tt . . . . . 0 C--N 1.351 0.666 0 CA-C-O 122.599 1.19 . . . . 0.0 112.277 -176.25 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 . . . . . 0 C--O 1.239 0.506 0 CA-C-O 121.513 0.673 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 m -111.01 116.5 52.68 Favored 'Isoleucine or valine' 0 C--N 1.37 1.459 0 C-N-CA 128.526 2.73 . . . . 0.0 107.735 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.92 168.29 17.83 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 C-N-CA 126.008 1.723 . . . . 0.0 112.555 -175.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.9 m -116.64 125.53 51.91 Favored 'General case' 0 C--N 1.38 1.894 0 C-N-CA 124.365 1.066 . . . . 0.0 110.715 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -110.04 125.36 52.85 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 125.074 1.35 . . . . 0.0 110.296 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -133.25 164.9 26.03 Favored 'General case' 0 C--N 1.374 1.65 0 C-N-CA 126.251 1.82 . . . . 0.0 110.722 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.8 p -141.56 159.81 41.45 Favored 'General case' 0 C--N 1.368 1.403 0 CA-C-O 122.931 1.348 . . . . 0.0 113.652 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.9 t80 . . . . . 0 C--N 1.36 1.042 0 N-CA-C 100.498 -3.889 . . . . 0.0 100.498 176.447 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.7 m95 . . . . . 0 CA--C 1.541 0.624 0 CA-C-O 121.925 0.869 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.0 m -142.64 170.23 11.7 Favored 'Isoleucine or valine' 0 C--N 1.366 1.311 0 C-N-CA 127.026 2.131 . . . . 0.0 106.98 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -87.37 146.99 25.66 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.847 2.059 . . . . 0.0 109.555 173.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -96.09 -57.91 2.22 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 125.531 1.533 . . . . 0.0 109.833 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -167.16 171.96 10.41 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 104.378 -2.453 . . . . 0.0 104.378 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 p -130.02 132.58 46.29 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 101.122 -3.659 . . . . 0.0 101.122 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.73 164.67 36.86 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 118.231 2.678 . . . . 0.0 118.231 -173.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.74 119.67 34.64 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 127.263 2.225 . . . . 0.0 107.866 171.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.23 168.09 13.68 Favored 'General case' 0 CA--C 1.495 -1.144 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -103.04 106.92 17.54 Favored 'General case' 0 C--N 1.362 1.135 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 171.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.9 t -121.82 105.89 17.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 1 N-CA-C 98.426 -4.657 . . . . 0.0 98.426 -176.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -137.16 142.99 40.04 Favored Pre-proline 0 C--N 1.365 1.245 0 O-C-N 120.195 -1.566 . . . . 0.0 111.746 -169.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.75 139.1 42.98 Favored 'Trans proline' 0 C--N 1.371 1.723 0 C-N-CA 124.749 3.633 . . . . 0.0 113.655 175.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.557 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.694 0 C-N-CA 131.05 3.74 . . . . 0.0 117.489 -178.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.059 0 CA-C-O 122.519 1.066 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -128.91 143.1 50.79 Favored 'General case' 0 CA--C 1.494 -1.198 0 C-N-CA 127.046 2.138 . . . . 0.0 109.704 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.471 HD22 ' HE ' ' A' ' 132' ' ' ARG . 0.4 OUTLIER -143.13 121.15 12.08 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 102.665 -3.087 . . . . 0.0 102.665 173.481 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -133.9 152.24 34.19 Favored 'Isoleucine or valine' 0 C--N 1.36 1.025 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -168.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.296 0.1 OUTLIER -129.77 128.98 43.49 Favored 'General case' 0 C--N 1.373 1.601 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 166.828 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.9 t -139.04 158.96 68.69 Favored Pre-proline 0 C--N 1.353 0.732 0 C-N-CA 127.476 2.31 . . . . 0.0 107.706 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -65.92 142.81 70.45 Favored 'Trans proline' 0 CA--C 1.554 1.494 0 C-N-CA 124.012 3.141 . . . . 0.0 111.175 162.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.263 0.6 OUTLIER 2.43 22.11 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.107 2 C-N-CA 136.306 5.842 . . . . 0.0 125.668 -174.761 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -103.27 134.85 45.98 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 126.888 2.075 . . . . 0.0 110.979 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.14 19.94 19.7 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 127.446 2.299 . . . . 0.0 108.913 175.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -102.23 1.1 35.49 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 118.796 2.888 . . . . 0.0 118.796 -164.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . 0.33 0.2 OUTLIER -78.04 -64.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.717 0 CA-C-N 123.125 2.693 . . . . 0.0 113.529 177.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -120.26 112.63 19.29 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.512 1.525 . . . . 0.0 110.687 -176.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 78.9 tttt 168.63 60.83 0.0 OUTLIER 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.277 22.3 tptm 76.06 48.45 0.08 Allowed 'General case' 0 C--N 1.371 1.513 0 CA-C-O 125.064 2.364 . . . . 0.0 110.775 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -141.04 -177.9 5.32 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 111.779 -2.464 . . . . 0.0 107.871 -175.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -145.0 131.07 19.33 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.685 1.594 . . . . 0.0 108.768 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.322 1.0 OUTLIER -130.59 161.68 40.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 O-C-N 119.12 -2.237 . . . . 0.0 109.638 177.463 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.473 HG21 ' H ' ' A' ' 112' ' ' GLY . 5.9 mt -118.13 108.1 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 CA-C-N 111.506 -2.588 . . . . 0.0 107.585 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -94.23 82.82 4.15 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 126.652 1.981 . . . . 0.0 107.573 173.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 56.04 46.74 21.16 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 127.398 2.279 . . . . 0.0 116.795 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.473 ' H ' HG21 ' A' ' 109' ' ' ILE . . . 92.96 4.01 65.34 Favored Glycine 0 C--N 1.361 1.928 0 C-N-CA 126.421 1.963 . . . . 0.0 116.641 -174.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -99.52 104.6 16.43 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.642 1.577 . . . . 0.0 109.686 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -93.3 110.15 22.81 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 C-N-CA 126.904 2.081 . . . . 0.0 112.755 -176.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 36.1 t -130.7 138.47 53.59 Favored 'Isoleucine or valine' 0 C--N 1.37 1.484 0 C-N-CA 124.779 1.232 . . . . 0.0 109.597 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.4 m -105.25 131.52 52.62 Favored 'General case' 0 C--N 1.379 1.884 0 C-N-CA 129.638 3.175 . . . . 0.0 107.595 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.33 163.89 32.94 Favored 'General case' 0 C--N 1.365 1.25 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -171.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.75 143.67 38.47 Favored 'Isoleucine or valine' 0 C--N 1.362 1.14 0 C-N-CA 127.918 2.487 . . . . 0.0 106.032 173.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -168.82 -169.57 32.38 Favored Glycine 0 C--N 1.365 2.164 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -169.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -130.98 129.75 22.65 Favored Pre-proline 0 C--N 1.368 1.372 0 C-N-CA 125.379 1.472 . . . . 0.0 113.779 -174.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -99.87 148.18 0.46 Allowed 'Trans proline' 0 C--N 1.365 1.4 0 C-N-CA 124.597 3.531 . . . . 0.0 114.445 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 13.4 p -132.99 133.23 58.9 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 C-N-CA 125.939 1.696 . . . . 0.0 110.197 169.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 . . . . . 0 C--N 1.362 1.123 0 C-N-CA 126.961 2.104 . . . . 0.0 110.047 173.673 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 . . . . . 0 N--CA 1.467 0.414 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 7.9 pt -121.93 137.2 56.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 CA-C-O 123.616 1.674 . . . . 0.0 109.587 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.7 p -113.13 142.27 45.95 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 130.136 3.374 . . . . 0.0 107.94 176.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.471 ' HE ' HD22 ' A' ' 93' ' ' ASN . 77.6 ttt180 -115.71 136.09 53.4 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 175.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.3 mm . . . . . 0 C--N 1.353 0.757 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 177.254 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--O 1.239 0.549 0 CA-C-O 122.444 1.116 . . . . 0.0 109.818 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 m -97.72 116.49 40.39 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 C-N-CA 126.083 1.753 . . . . 0.0 106.899 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.4 mm -98.5 157.97 3.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 C-N-CA 128.253 2.621 . . . . 0.0 111.068 -168.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.8 m -121.07 118.96 31.1 Favored 'General case' 0 C--N 1.368 1.372 0 O-C-N 120.56 -1.337 . . . . 0.0 108.564 -177.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.419 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 97.3 m-85 -112.21 127.51 55.97 Favored 'General case' 0 C--N 1.363 1.195 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -126.87 148.9 49.97 Favored 'General case' 0 C--N 1.38 1.909 0 C-N-CA 127.756 2.422 . . . . 0.0 109.795 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.1 t -127.71 161.06 29.81 Favored 'General case' 0 C--N 1.371 1.542 0 O-C-N 119.484 -2.01 . . . . 0.0 111.258 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.1 t80 . . . . . 0 C--N 1.363 1.161 0 C-N-CA 125.834 1.653 . . . . 0.0 107.786 176.374 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 50.8 m95 . . . . . 0 N--CA 1.443 -0.786 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 68.5 t -133.98 137.83 51.48 Favored 'Isoleucine or valine' 0 C--N 1.361 1.084 0 C-N-CA 127.76 2.424 . . . . 0.0 106.803 -175.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.98 130.19 36.92 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 126.186 1.794 . . . . 0.0 108.208 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -83.52 -59.65 2.38 Favored 'General case' 0 C--N 1.362 1.109 0 CA-C-O 122.536 1.16 . . . . 0.0 113.81 -172.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.419 ' CZ ' ' CD1' ' A' ' 45' ' ' PHE . 8.5 p90 -170.08 179.54 3.51 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 -174.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.8 t -139.24 132.77 30.35 Favored 'General case' 0 N--CA 1.445 -0.69 1 N-CA-C 99.892 -4.114 . . . . 0.0 99.892 169.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.56 162.65 39.74 Favored 'General case' 0 CA--C 1.504 -0.819 0 O-C-N 121.533 -0.73 . . . . 0.0 111.753 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.92 116.11 21.41 Favored 'General case' 0 C--N 1.364 1.231 0 O-C-N 120.636 -1.29 . . . . 0.0 107.528 177.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.38 156.31 21.14 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -167.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -108.82 107.24 17.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 174.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.9 t -106.98 99.23 8.15 Favored 'Isoleucine or valine' 0 C--N 1.373 1.604 0 N-CA-C 100.937 -3.727 . . . . 0.0 100.937 176.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -116.29 157.94 44.16 Favored Pre-proline 0 C--N 1.367 1.34 0 O-C-N 118.385 -2.697 . . . . 0.0 110.558 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.31 155.18 60.84 Favored 'Trans proline' 0 CA--C 1.549 1.231 0 CA-C-N 126.915 3.505 . . . . 0.0 113.639 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.358 13.1 tt . . . . . 0 C--N 1.376 1.74 0 C-N-CA 127.206 2.202 . . . . 0.0 116.717 -178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.575 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -114.53 155.29 26.72 Favored 'General case' 0 C--N 1.362 1.127 0 CA-C-O 124.168 1.937 . . . . 0.0 111.485 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . 0.281 2.6 t30 -123.7 119.13 28.89 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 102.51 -3.144 . . . . 0.0 102.51 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.424 ' HB ' ' CG2' ' A' ' 133' ' ' ILE . 3.6 mp -140.51 146.78 23.86 Favored 'Isoleucine or valine' 0 C--N 1.361 1.098 0 O-C-N 119.725 -1.859 . . . . 0.0 111.069 -172.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.01 140.3 48.89 Favored 'General case' 0 C--N 1.365 1.266 0 C-N-CA 125.07 1.348 . . . . 0.0 107.529 163.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.0 t -139.45 148.18 55.42 Favored Pre-proline 0 C--N 1.362 1.14 0 N-CA-C 103.286 -2.857 . . . . 0.0 103.286 170.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -64.16 126.57 17.38 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 125.084 3.856 . . . . 0.0 110.433 172.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.298 0.6 OUTLIER 34.76 13.88 0.0 OUTLIER 'General case' 0 C--N 1.356 0.857 2 C-N-CA 134.332 5.053 . . . . 0.0 122.794 -176.248 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -104.24 122.94 46.42 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 119.947 -1.721 . . . . 0.0 111.966 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -96.7 25.77 4.97 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 126.445 1.898 . . . . 0.0 112.212 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -94.07 -49.64 5.68 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 116.384 -1.77 . . . . 0.0 112.39 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . 0.317 1.3 pt 15.25 -87.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.381 1.957 1 C-N-CA 132.203 4.201 . . . . 0.0 120.124 170.299 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -135.76 113.23 10.74 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 122.538 1.161 . . . . 0.0 108.366 168.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -142.09 -73.52 0.31 Allowed 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 104.162 -2.533 . . . . 0.0 104.162 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -128.75 66.19 1.42 Allowed 'General case' 0 C--N 1.358 0.967 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 171.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . 0.315 17.8 ptp -155.25 156.85 36.32 Favored 'General case' 0 C--N 1.364 1.198 0 N-CA-C 120.565 3.543 . . . . 0.0 120.565 -177.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -93.96 101.55 13.61 Favored 'General case' 0 C--N 1.358 0.975 1 C-N-CA 131.903 4.081 . . . . 0.0 105.632 -179.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.5 p -107.0 137.58 37.16 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.258 0 CA-C-O 122.534 1.159 . . . . 0.0 108.722 -175.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 48.5 mt -103.89 105.37 18.29 Favored 'Isoleucine or valine' 0 C--N 1.363 1.182 0 N-CA-C 103.767 -2.679 . . . . 0.0 103.767 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -99.16 111.76 24.07 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 126.2 1.8 . . . . 0.0 107.116 173.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 52.39 32.96 12.02 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 117.674 2.472 . . . . 0.0 117.674 175.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.83 3.96 65.64 Favored Glycine 0 C--N 1.359 1.816 0 C-N-CA 127.244 2.354 . . . . 0.0 116.236 -174.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -109.1 122.81 48.07 Favored 'General case' 0 C--N 1.361 1.087 0 CA-C-N 119.806 1.803 . . . . 0.0 110.651 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.2 mp -86.06 105.65 14.77 Favored 'Isoleucine or valine' 0 C--N 1.372 1.549 0 C-N-CA 125.404 1.482 . . . . 0.0 108.822 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.7 162.98 36.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 -168.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . 0.689 14.7 t 71.49 -89.75 0.03 OUTLIER 'General case' 0 C--N 1.378 1.818 2 N-CA-C 128.016 6.302 . . . . 0.0 128.016 168.018 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . 0.671 3.1 m-85 103.56 -74.34 0.0 OUTLIER 'General case' 0 C--N 1.374 1.65 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 -170.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 32.6 pt -104.6 144.17 14.99 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 N-CA-C 117.75 2.5 . . . . 0.0 117.75 -172.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -170.94 -179.26 42.04 Favored Glycine 0 C--N 1.361 1.925 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 173.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -127.97 101.44 22.93 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 126.092 1.757 . . . . 0.0 109.855 176.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -78.88 137.49 14.03 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 124.871 3.714 . . . . 0.0 114.842 -178.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.1 t -125.36 121.49 60.59 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 C-N-CA 127.224 2.21 . . . . 0.0 108.965 -177.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 C--N 1.361 1.105 0 O-C-N 120.56 -1.337 . . . . 0.0 110.443 176.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . 0.263 6.9 mp0 . . . . . 0 C--O 1.224 -0.241 0 CA-C-O 121.958 0.885 . . . . 0.0 112.416 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.7 pp -107.75 142.67 19.86 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 CA-C-O 123.343 1.544 . . . . 0.0 113.562 -176.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 71.4 m -112.24 132.31 55.0 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 128.165 2.586 . . . . 0.0 107.954 173.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -124.46 138.85 54.31 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 126.88 2.072 . . . . 0.0 111.889 -173.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.424 ' CG2' ' HB ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.358 0.937 0 O-C-N 120.182 -1.574 . . . . 0.0 109.768 174.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 N--CA 1.467 0.382 0 CA-C-O 121.438 0.637 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.3 t -97.62 128.17 49.22 Favored 'Isoleucine or valine' 0 C--N 1.364 1.208 0 C-N-CA 128.008 2.523 . . . . 0.0 107.573 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.9 pt -132.11 168.21 24.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 O-C-N 118.957 -2.34 . . . . 0.0 111.823 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.8 m -113.29 124.3 52.17 Favored 'General case' 0 C--N 1.378 1.823 0 C-N-CA 125.194 1.397 . . . . 0.0 110.775 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -105.97 136.92 44.78 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 123.697 0.799 . . . . 0.0 113.136 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -132.62 162.98 29.92 Favored 'General case' 0 C--N 1.373 1.596 0 C-N-CA 127.444 2.297 . . . . 0.0 109.674 -177.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.6 t -141.6 161.21 38.48 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 125.508 1.523 . . . . 0.0 108.79 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.359 0.986 0 C-N-CA 128.535 2.734 . . . . 0.0 105.757 178.35 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.4 m95 . . . . . 0 N--CA 1.444 -0.765 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.5 p -143.59 157.31 16.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 C-N-CA 123.695 0.798 . . . . 0.0 108.955 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -95.61 135.03 37.8 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 127.113 2.165 . . . . 0.0 108.053 175.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -88.07 -56.07 3.49 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 126.172 1.789 . . . . 0.0 111.544 -175.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 101' ' ' ARG . 36.9 p90 -167.69 172.84 8.93 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -175.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 m -131.44 132.5 44.36 Favored 'General case' 0 CA--C 1.505 -0.774 1 N-CA-C 99.566 -4.235 . . . . 0.0 99.566 171.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.26 165.41 35.97 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 121.848 0.832 . . . . 0.0 112.917 -175.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.77 114.24 20.28 Favored 'General case' 0 C--N 1.367 1.332 0 CA-C-O 122.448 1.118 . . . . 0.0 108.744 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.7 170.02 2.45 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 105.488 -2.042 . . . . 0.0 105.488 -172.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.01 128.53 16.02 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 171.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.402 HG21 HG23 ' A' ' 108' ' ' VAL . 91.4 t -105.8 99.22 8.05 Favored 'Isoleucine or valine' 0 C--N 1.37 1.475 0 C-N-CA 127.307 2.243 . . . . 0.0 106.316 177.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -102.96 129.59 25.35 Favored Pre-proline 0 C--N 1.362 1.127 0 O-C-N 120.132 -1.605 . . . . 0.0 112.966 -175.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -72.06 141.68 36.85 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 124.744 3.629 . . . . 0.0 112.595 173.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.6 pt . . . . . 0 C--N 1.365 1.248 0 O-C-N 119.828 -1.795 . . . . 0.0 114.403 179.877 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.262 0 CA-C-O 122.466 1.037 . . . . 0.0 112.171 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -121.29 153.1 38.14 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 126.583 1.953 . . . . 0.0 114.231 -177.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -122.36 120.33 33.69 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 101.483 -3.525 . . . . 0.0 101.483 169.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.44 143.15 19.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 O-C-N 119.494 -2.003 . . . . 0.0 112.302 -171.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.17 141.52 48.41 Favored 'General case' 0 C--N 1.377 1.796 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 172.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.7 m -139.3 147.66 53.8 Favored Pre-proline 0 C--N 1.352 0.689 0 N-CA-C 102.886 -3.005 . . . . 0.0 102.886 167.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.96 135.52 17.46 Favored 'Trans proline' 0 C--N 1.357 0.985 0 CA-C-N 126.297 3.285 . . . . 0.0 110.715 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 19.04 -10.62 0.0 OUTLIER 'General case' 0 C--N 1.359 0.998 2 C-N-CA 138.543 6.737 . . . . 0.0 123.855 -177.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -104.44 157.75 16.94 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 128.905 2.882 . . . . 0.0 111.821 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -96.43 66.06 2.36 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 120.417 -1.427 . . . . 0.0 108.747 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 59.4 mtt180 -76.47 -49.39 16.7 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 124.469 1.108 . . . . 0.0 112.632 -177.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.01 151.87 7.08 Favored 'Isoleucine or valine' 0 C--N 1.366 1.315 0 C-N-CA 130.791 3.636 . . . . 0.0 115.268 165.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -135.99 -178.92 5.36 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -175.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -82.92 -23.5 33.5 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 130.251 3.42 . . . . 0.0 114.822 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -139.65 82.25 1.87 Allowed 'General case' 0 C--N 1.347 0.494 0 N-CA-C 104.875 -2.268 . . . . 0.0 104.875 177.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -144.55 168.65 19.63 Favored 'General case' 0 C--N 1.363 1.154 0 CA-C-O 122.869 1.318 . . . . 0.0 110.766 -172.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -127.89 150.98 49.63 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.402 HG23 HG21 ' A' ' 72' ' ' VAL . 7.3 p -143.13 149.53 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 CA-C-O 123.176 1.465 . . . . 0.0 109.521 -178.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 58.1 mt -108.49 104.06 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 N-CA-C 101.661 -3.459 . . . . 0.0 101.661 165.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -95.17 103.19 15.04 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 130.057 3.343 . . . . 0.0 107.543 173.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . 0.363 17.6 ptm180 44.08 40.43 3.45 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 129.605 3.162 . . . . 0.0 118.168 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.18 6.28 63.19 Favored Glycine 0 C--N 1.36 1.914 0 C-N-CA 127.534 2.492 . . . . 0.0 116.463 -176.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -108.45 125.41 51.74 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 119.655 1.728 . . . . 0.0 109.019 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 18.8 mt -97.37 106.67 18.87 Favored 'Isoleucine or valine' 0 C--N 1.367 1.365 0 C-N-CA 124.507 1.123 . . . . 0.0 109.911 -178.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.5 m -132.53 160.76 42.35 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 C-N-CA 125.573 1.549 . . . . 0.0 111.318 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.8 151.54 19.55 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 129.788 3.235 . . . . 0.0 108.535 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -149.5 160.8 43.16 Favored 'General case' 0 C--N 1.37 1.48 0 CA-C-N 118.666 0.666 . . . . 0.0 112.424 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -133.16 170.94 18.98 Favored 'Isoleucine or valine' 0 C--N 1.374 1.655 0 C-N-CA 127.675 2.39 . . . . 0.0 108.818 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 126.19 157.79 9.69 Favored Glycine 0 C--N 1.367 2.275 0 O-C-N 120.654 -1.279 . . . . 0.0 114.917 171.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -103.35 123.87 40.17 Favored Pre-proline 0 C--N 1.359 1.014 0 C-N-CA 125.937 1.695 . . . . 0.0 111.153 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.9 132.35 10.6 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.73 3.62 . . . . 0.0 113.35 175.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.4 p -132.93 144.14 37.45 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 C-N-CA 124.803 1.241 . . . . 0.0 109.477 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 C--N 1.358 0.957 0 C-N-CA 125.949 1.7 . . . . 0.0 111.51 173.837 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 . . . . . 0 CA--C 1.533 0.305 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.0 tt -128.97 125.31 62.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 O-C-N 120.058 -1.652 . . . . 0.0 110.927 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.26 117.08 31.84 Favored 'General case' 0 C--N 1.37 1.494 0 N-CA-C 103.573 -2.751 . . . . 0.0 103.573 166.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.93 137.08 51.85 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 125.178 1.391 . . . . 0.0 108.94 -176.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.352 0.711 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 p30 . . . . . 0 CA--C 1.512 -0.482 0 CA-C-O 122.796 1.284 . . . . 0.0 111.375 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 m -101.76 138.92 24.31 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 C-N-CA 127.334 2.254 . . . . 0.0 106.11 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.73 170.57 19.58 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 O-C-N 119.995 -1.691 . . . . 0.0 110.683 -176.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.4 m -119.29 123.63 44.7 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 121.254 -0.904 . . . . 0.0 113.373 -174.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.46 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 99.0 m-85 -104.19 133.58 48.88 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 124.042 0.937 . . . . 0.0 112.536 175.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -142.72 145.58 33.49 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 127.215 2.206 . . . . 0.0 109.583 -175.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.8 p -136.02 168.34 19.54 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 119.77 -1.831 . . . . 0.0 113.074 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.1 t80 . . . . . 0 C--N 1.36 1.053 0 C-N-CA 128.318 2.647 . . . . 0.0 108.249 -177.575 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 77.1 m95 . . . . . 0 N--CA 1.435 -1.195 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.8 p -142.32 159.65 19.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -82.82 141.04 32.6 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 126.431 1.892 . . . . 0.0 109.781 176.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -95.36 -57.79 2.31 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.11 0.964 . . . . 0.0 110.527 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.46 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 14.2 p90 -162.18 171.39 17.47 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -177.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 p -132.61 133.52 43.74 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 101.91 -3.367 . . . . 0.0 101.91 175.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.15 164.34 34.2 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -177.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.69 117.03 29.74 Favored 'General case' 0 C--N 1.366 1.321 0 N-CA-C 104.795 -2.298 . . . . 0.0 104.795 172.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -174.5 154.76 2.13 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 -167.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -108.21 107.16 17.66 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.267 1.0 OUTLIER -128.67 112.63 26.72 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 N-CA-C 100.585 -3.858 . . . . 0.0 100.585 -178.258 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -140.09 146.94 48.53 Favored Pre-proline 0 C--N 1.361 1.087 0 O-C-N 120.794 -1.191 . . . . 0.0 110.396 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -71.56 155.06 59.84 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 124.352 3.368 . . . . 0.0 113.251 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.46 25.3 pt . . . . . 0 C--N 1.36 1.03 0 N-CA-C 119.575 3.176 . . . . 0.0 119.575 177.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.543 0 CA-C-O 123.072 1.373 . . . . 0.0 115.175 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -138.98 155.34 48.08 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -118.76 119.04 33.22 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 103.511 -2.774 . . . . 0.0 103.511 169.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.5 pp -139.03 131.26 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.07 114.68 19.38 Favored 'General case' 0 C--N 1.363 1.173 1 N-CA-C 96.755 -5.276 . . . . 0.0 96.755 165.698 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 53.6 m -138.28 109.28 8.17 Favored Pre-proline 0 C--N 1.349 0.58 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 -175.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -60.54 130.26 32.86 Favored 'Trans proline' 0 C--N 1.369 1.628 1 C-N-CA 125.685 4.257 . . . . 0.0 113.571 -176.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.393 0.4 OUTLIER 21.58 17.04 0.0 OUTLIER 'General case' 0 C--N 1.358 0.974 2 C-N-CA 135.349 5.459 . . . . 0.0 123.944 -173.484 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -104.08 110.31 22.44 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 129.478 3.111 . . . . 0.0 106.814 173.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -97.93 22.48 9.22 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 124.929 1.292 . . . . 0.0 113.455 -176.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -102.78 1.91 34.85 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -175.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -52.89 -58.52 2.68 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 1 C-N-CA 131.913 4.085 . . . . 0.0 114.189 178.648 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -129.59 112.95 14.23 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 126.912 2.085 . . . . 0.0 106.22 173.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -169.74 40.59 0.03 OUTLIER 'General case' 0 C--N 1.349 0.553 0 N-CA-C 103.935 -2.617 . . . . 0.0 103.935 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 50.8 tptt 71.42 75.31 0.18 Allowed 'General case' 0 C--N 1.366 1.31 0 C-N-CA 128.611 2.764 . . . . 0.0 111.768 -175.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.0 mtt -147.45 -177.72 5.85 Favored 'General case' 0 C--N 1.365 1.257 0 CA-C-O 122.597 1.189 . . . . 0.0 109.557 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -124.86 143.93 50.58 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 127.0 2.12 . . . . 0.0 106.203 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.9 p -146.39 146.38 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 O-C-N 120.13 -1.607 . . . . 0.0 108.63 -173.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.6 tt -121.26 107.97 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.529 0 N-CA-C 105.121 -2.177 . . . . 0.0 105.121 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.88 88.67 5.38 Favored 'General case' 0 C--N 1.386 2.152 0 C-N-CA 126.852 2.061 . . . . 0.0 109.212 176.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 62.07 41.31 11.11 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 127.343 2.257 . . . . 0.0 115.77 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.82 9.86 60.66 Favored Glycine 0 C--N 1.364 2.108 0 N-CA-C 117.704 1.842 . . . . 0.0 117.704 -178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -115.91 121.4 42.21 Favored 'General case' 0 C--N 1.36 1.05 0 CA-C-N 120.197 1.999 . . . . 0.0 107.193 177.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 15.2 tt -112.38 117.98 56.63 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 N-CA-C 115.019 1.488 . . . . 0.0 115.019 -172.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.0 t -132.95 162.22 40.36 Favored 'Isoleucine or valine' 0 C--N 1.373 1.616 0 C-N-CA 125.956 1.702 . . . . 0.0 109.058 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.6 t -118.72 137.85 53.05 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.11 1.764 . . . . 0.0 107.725 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -152.37 152.27 31.85 Favored 'General case' 0 C--N 1.362 1.134 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -174.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.0 142.14 42.84 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 C-N-CA 124.979 1.311 . . . . 0.0 108.052 175.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 176.84 -168.86 41.05 Favored Glycine 0 C--N 1.362 2.015 0 N-CA-C 106.866 -2.493 . . . . 0.0 106.866 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -150.91 127.01 5.06 Favored Pre-proline 0 C--N 1.37 1.46 0 CA-C-O 116.707 -1.616 . . . . 0.0 108.245 177.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -87.07 158.35 8.54 Favored 'Trans proline' 0 CA--C 1.553 1.449 1 C-N-CA 125.673 4.249 . . . . 0.0 112.552 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.6 t -100.29 135.77 34.65 Favored 'Isoleucine or valine' 0 C--N 1.361 1.067 0 C-N-CA 127.962 2.505 . . . . 0.0 109.289 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 . . . . . 0 C--N 1.362 1.132 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -177.659 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 C--O 1.225 -0.186 0 CA-C-O 121.715 0.769 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.422 HD13 HH21 ' A' ' 132' ' ' ARG . 19.4 tt -126.93 134.98 64.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 123.736 1.731 . . . . 0.0 113.263 -174.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.3 114.69 27.03 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 128.834 2.854 . . . . 0.0 104.903 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.422 HH21 HD13 ' A' ' 130' ' ' ILE . 29.1 ttm180 -125.79 138.26 53.83 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 125.77 1.628 . . . . 0.0 114.685 -172.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.366 1.297 0 N-CA-C 103.056 -2.942 . . . . 0.0 103.056 165.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.6 ptp . . . . . 0 N--CA 1.446 -0.664 0 CA-C-O 121.44 0.638 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -101.76 -29.04 12.11 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.638 1.975 . . . . 0.0 110.695 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 71.5 -73.85 0.09 Allowed 'General case' 0 C--N 1.365 1.246 0 C-N-CA 127.128 2.171 . . . . 0.0 114.715 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -122.52 125.25 45.36 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.733 2.013 . . . . 0.0 105.781 177.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.563 ' HB3' ' CD2' ' A' ' 71' ' ' HIS . 2.5 t80 -153.54 157.69 40.15 Favored 'General case' 0 C--N 1.359 0.992 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -171.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 81.3 mtt-85 -158.53 94.72 1.28 Allowed 'General case' 0 C--N 1.361 1.066 0 C-N-CA 128.417 2.687 . . . . 0.0 107.683 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.71 171.33 9.24 Favored 'General case' 0 CA--C 1.505 -0.783 0 O-C-N 119.66 -1.9 . . . . 0.0 106.485 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 m -96.88 114.67 34.39 Favored 'Isoleucine or valine' 0 C--N 1.367 1.359 0 CA-C-O 125.461 2.553 . . . . 0.0 104.514 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.5 pt -132.43 158.5 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 112.323 -2.217 . . . . 0.0 107.836 -171.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.9 m -116.68 122.56 44.9 Favored 'General case' 0 C--N 1.365 1.268 0 CA-C-O 122.71 1.243 . . . . 0.0 110.633 -174.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -94.58 123.66 38.15 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 126.965 2.106 . . . . 0.0 109.96 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -135.15 173.05 12.15 Favored 'General case' 0 C--N 1.375 1.713 0 CA-C-O 122.615 1.198 . . . . 0.0 107.879 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.1 m -122.89 137.8 54.84 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 126.265 1.826 . . . . 0.0 111.805 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -123.27 117.18 24.69 Favored 'General case' 0 C--N 1.352 0.706 1 N-CA-C 100.023 -4.066 . . . . 0.0 100.023 167.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.5 t -136.49 128.75 44.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 104.354 -2.462 . . . . 0.0 104.354 -176.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -81.73 56.48 3.05 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 125.878 1.671 . . . . 0.0 112.493 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . 0.346 18.4 mt-30 99.0 139.88 0.01 OUTLIER 'General case' 0 C--N 1.365 1.266 0 C-N-CA 130.363 3.465 . . . . 0.0 114.306 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.9 t -95.36 45.43 1.1 Allowed 'General case' 0 C--N 1.365 1.268 0 O-C-N 119.742 -1.849 . . . . 0.0 112.555 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -152.33 -177.24 6.07 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 128.195 2.598 . . . . 0.0 106.142 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.68 33.44 2.58 Favored Glycine 0 C--N 1.364 2.127 0 N-CA-C 118.644 2.218 . . . . 0.0 118.644 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -128.25 93.24 3.61 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 127.776 2.43 . . . . 0.0 105.839 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.15 90.26 1.63 Allowed Glycine 0 C--N 1.363 2.053 0 C-N-CA 125.52 1.534 . . . . 0.0 110.542 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.64 -149.43 21.57 Favored Glycine 0 C--N 1.353 1.519 0 N-CA-C 105.958 -2.857 . . . . 0.0 105.958 -175.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 80.9 tttt 67.81 -64.42 0.28 Allowed 'General case' 0 C--N 1.363 1.154 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 175.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 61.5 p -138.77 164.6 29.17 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 106.16 -1.793 . . . . 0.0 106.16 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -134.19 139.66 45.99 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.637 -1.915 . . . . 0.0 109.218 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -125.54 138.13 53.95 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 125.703 1.601 . . . . 0.0 110.724 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -105.04 134.86 47.44 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 129.193 2.997 . . . . 0.0 111.52 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.37 160.74 17.11 Favored 'Isoleucine or valine' 0 C--N 1.368 1.387 0 C-N-CA 125.571 1.549 . . . . 0.0 107.613 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -103.63 139.57 38.74 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 126.065 1.746 . . . . 0.0 109.885 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -99.3 -60.71 1.48 Allowed 'General case' 0 C--N 1.367 1.345 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -173.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -164.83 172.81 12.46 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 p -129.98 133.46 46.8 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 104.306 -2.479 . . . . 0.0 104.306 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.94 164.16 35.36 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-O 123.344 1.545 . . . . 0.0 114.771 -176.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.22 112.7 24.32 Favored 'General case' 0 C--N 1.37 1.497 0 N-CA-C 102.869 -3.011 . . . . 0.0 102.869 167.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -157.23 169.26 25.16 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.562 -166.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 39' ' ' PHE . 21.5 t-160 -134.33 111.01 9.86 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 175.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.441 ' HA ' ' HB ' ' A' ' 94' ' ' ILE . 15.4 t -111.02 125.45 68.36 Favored 'Isoleucine or valine' 0 C--N 1.363 1.178 0 N-CA-C 101.259 -3.608 . . . . 0.0 101.259 171.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -133.51 138.74 31.91 Favored Pre-proline 0 C--N 1.364 1.199 0 CA-C-O 116.99 -1.481 . . . . 0.0 109.007 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.87 155.02 58.43 Favored 'Trans proline' 0 C--N 1.371 1.758 0 C-N-CA 124.953 3.769 . . . . 0.0 112.901 171.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.3 tt -62.46 -33.01 57.09 Favored 'Isoleucine or valine' 0 C--N 1.362 1.143 0 N-CA-C 117.812 2.523 . . . . 0.0 117.812 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . 0.338 89.2 p 81.05 -59.75 0.25 Allowed 'General case' 0 C--N 1.361 1.086 0 C-N-CA 130.187 3.395 . . . . 0.0 112.613 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -147.87 -112.69 0.08 Allowed 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 105.142 -2.169 . . . . 0.0 105.142 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -97.66 6.83 47.44 Favored 'General case' 0 C--N 1.359 0.999 0 O-C-N 120.77 -1.206 . . . . 0.0 112.805 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 74.55 -47.52 0.63 Allowed 'General case' 0 C--N 1.365 1.246 0 C-N-CA 128.402 2.681 . . . . 0.0 115.775 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -94.26 -17.84 22.26 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 128.466 2.707 . . . . 0.0 110.913 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . 0.262 14.4 m-85 65.81 -81.96 0.03 OUTLIER 'General case' 0 C--N 1.359 1.022 0 C-N-CA 130.046 3.339 . . . . 0.0 116.261 177.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 48.34 -57.35 0.0 OUTLIER 'General case' 0 C--N 1.362 1.147 1 C-N-CA 132.192 4.197 . . . . 0.0 120.787 177.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.95 -61.6 1.55 Allowed 'General case' 0 C--N 1.353 0.729 0 C-N-CA 126.136 1.774 . . . . 0.0 111.364 -178.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.47 ' CG ' ' H ' ' A' ' 85' ' ' GLN 0.356 1.2 pt20 146.9 -121.85 0.0 OUTLIER 'General case' 0 C--N 1.363 1.186 0 C-N-CA 130.118 3.367 . . . . 0.0 108.452 178.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.47 ' H ' ' CG ' ' A' ' 84' ' ' GLN 0.37 33.0 mt-30 87.17 156.65 0.07 Allowed 'General case' 0 C--N 1.36 1.024 1 C-N-CA 131.763 4.025 . . . . 0.0 112.552 -177.614 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.9 tp -140.3 144.89 36.62 Favored 'General case' 0 C--N 1.364 1.237 0 O-C-N 120.206 -1.559 . . . . 0.0 110.01 -177.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -179.66 167.26 1.39 Allowed 'General case' 0 C--N 1.359 0.993 0 N-CA-C 101.429 -3.545 . . . . 0.0 101.429 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.6 m -85.57 129.37 55.27 Favored Pre-proline 0 C--N 1.358 0.936 0 C-N-CA 128.064 2.545 . . . . 0.0 107.808 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -73.59 124.75 9.54 Favored 'Trans proline' 0 C--N 1.359 1.082 0 C-N-CA 124.21 3.273 . . . . 0.0 114.116 -169.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.7 pt -128.28 23.33 2.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 C-N-CA 127.422 2.289 . . . . 0.0 109.88 -177.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -131.51 142.39 13.78 Favored Glycine 0 C--N 1.363 2.068 0 CA-C-O 122.84 1.245 . . . . 0.0 112.402 -175.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -127.01 147.97 50.12 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 123.702 1.715 . . . . 0.0 109.958 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -124.09 130.89 53.31 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 111.562 -2.563 . . . . 0.0 107.609 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -143.11 147.24 20.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 O-C-N 119.795 -1.816 . . . . 0.0 111.748 -179.4 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -128.56 132.34 48.24 Favored 'General case' 0 C--N 1.369 1.443 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 169.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.7 m -139.01 143.1 35.64 Favored Pre-proline 0 C--N 1.359 1.012 0 N-CA-C 103.006 -2.961 . . . . 0.0 103.006 173.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.25 124.38 10.82 Favored 'Trans proline' 0 C--N 1.373 1.863 0 CA-C-N 125.854 3.126 . . . . 0.0 108.725 175.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.372 2.5 t80 32.12 19.35 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.975 1 C-N-CA 133.915 4.886 . . . . 0.0 120.765 -170.533 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -98.02 125.99 43.23 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 119.032 -2.292 . . . . 0.0 108.584 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -112.75 13.37 19.79 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 126.359 1.864 . . . . 0.0 112.454 -174.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -102.04 -2.77 28.86 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 117.762 2.504 . . . . 0.0 117.762 -170.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.507 ' CD1' ' H ' ' A' ' 102' ' ' ILE . 3.2 mp -63.24 -69.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.733 0 C-N-CA 128.368 2.667 . . . . 0.0 114.495 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -106.57 111.35 23.87 Favored 'General case' 0 C--N 1.363 1.184 0 O-C-N 121.358 -0.839 . . . . 0.0 109.908 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.0 tptm 178.02 42.88 0.0 OUTLIER 'General case' 0 C--N 1.35 0.605 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.25 7.0 tmtm? 79.46 80.03 0.05 Allowed 'General case' 0 C--N 1.367 1.341 0 C-N-CA 127.996 2.518 . . . . 0.0 110.714 -175.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.8 mmt -147.77 173.24 12.99 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.615 -1.303 . . . . 0.0 108.542 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -138.88 98.37 3.53 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 104.826 -2.287 . . . . 0.0 104.826 176.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 m -108.13 158.84 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.72 0 O-C-N 116.825 -3.672 . . . . 0.0 112.024 -169.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.1 tt -117.18 107.19 21.68 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-O 123.681 1.705 . . . . 0.0 108.989 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.445 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 3.6 p90 -112.79 128.27 56.39 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.096 1.758 . . . . 0.0 108.043 175.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 46.1 32.19 1.35 Allowed 'General case' 0 C--N 1.367 1.338 0 C-N-CA 128.823 2.849 . . . . 0.0 118.063 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.6 0.2 73.03 Favored Glycine 0 C--N 1.359 1.842 0 C-N-CA 126.377 1.941 . . . . 0.0 116.471 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -106.09 124.91 50.32 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-N 119.9 1.85 . . . . 0.0 111.548 -176.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.56 117.33 42.09 Favored 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 125.028 1.331 . . . . 0.0 109.337 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.7 p -131.2 153.69 39.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 O-C-N 120.587 -1.321 . . . . 0.0 111.315 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.8 t -117.01 136.1 53.2 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 128.138 2.575 . . . . 0.0 107.848 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -168.89 153.05 5.55 Favored 'General case' 0 C--N 1.361 1.097 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -174.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.96 143.3 35.01 Favored 'Isoleucine or valine' 0 C--N 1.367 1.332 0 C-N-CA 125.601 1.56 . . . . 0.0 107.091 176.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.85 -162.93 13.73 Favored Glycine 0 C--N 1.365 2.192 0 O-C-N 119.835 -1.791 . . . . 0.0 114.033 -174.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -146.26 126.6 7.03 Favored Pre-proline 0 C--N 1.37 1.458 0 C-N-CA 125.659 1.584 . . . . 0.0 110.664 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -87.61 147.51 7.26 Favored 'Trans proline' 0 C--N 1.363 1.336 0 C-N-CA 124.468 3.445 . . . . 0.0 113.655 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.05 142.05 44.55 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 127.151 2.181 . . . . 0.0 105.885 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -94.26 153.14 18.19 Favored 'General case' 0 C--N 1.364 1.212 0 O-C-N 118.47 -2.644 . . . . 0.0 108.77 175.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 tt -69.48 -29.15 66.74 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 125.369 1.468 . . . . 0.0 113.624 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . 0.317 14.9 m 94.72 -160.58 0.0 OUTLIER 'General case' 0 C--N 1.358 0.959 0 C-N-CA 129.444 3.098 . . . . 0.0 112.488 172.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 74.05 -90.97 0.7 Allowed Glycine 0 C--N 1.365 2.152 0 C-N-CA 127.72 2.581 . . . . 0.0 114.969 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -95.08 -21.75 18.34 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 126.884 2.074 . . . . 0.0 112.46 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . 0.273 66.5 mt-30 76.59 64.42 0.05 OUTLIER 'General case' 0 C--N 1.358 0.955 0 C-N-CA 128.884 2.874 . . . . 0.0 111.827 -177.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -104.54 -46.91 4.23 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 125.072 1.349 . . . . 0.0 111.861 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.4 mt -109.7 140.61 27.88 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 O-C-N 120.634 -1.291 . . . . 0.0 111.867 -176.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 51.7 m -108.28 135.19 50.02 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 128.282 2.633 . . . . 0.0 105.763 170.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -119.01 123.28 44.16 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 105.831 -1.915 . . . . 0.0 105.831 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 9.3 mt -125.86 146.34 31.79 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -124.49 143.45 50.65 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 104.489 -2.412 . . . . 0.0 104.489 171.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.54 155.0 26.32 Favored Glycine 0 CA--C 1.487 -1.695 0 N-CA-C 108.936 -1.665 . . . . 0.0 108.936 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -148.17 161.05 42.23 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 117.952 0.876 . . . . 0.0 109.934 -177.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -121.0 141.29 50.86 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-O 122.429 1.109 . . . . 0.0 111.582 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -131.31 -98.63 0.32 Allowed 'General case' 0 C--N 1.354 0.769 0 C-N-CA 125.898 1.679 . . . . 0.0 107.461 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 170.18 -176.21 43.94 Favored Glycine 0 C--N 1.355 1.636 0 N-CA-C 108.103 -1.999 . . . . 0.0 108.103 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -152.65 84.7 1.24 Allowed 'General case' 0 C--N 1.359 1.021 0 C-N-CA 125.081 1.352 . . . . 0.0 109.323 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 68.93 -77.35 0.05 Allowed 'General case' 0 C--N 1.364 1.217 0 C-N-CA 129.251 3.021 . . . . 0.0 115.254 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.5 m -115.72 -25.3 3.26 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 C-N-CA 127.148 2.179 . . . . 0.0 110.224 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 1.701 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -178.335 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.438 -1.034 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.4 t80 97.43 -77.02 0.0 OUTLIER 'General case' 0 C--N 1.361 1.083 0 C-N-CA 130.308 3.443 . . . . 0.0 107.386 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 64.21 46.22 3.68 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 128.573 2.749 . . . . 0.0 116.504 173.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -160.22 160.04 32.25 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 120.211 -1.556 . . . . 0.0 108.437 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -113.36 126.4 55.33 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 176.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.441 HH22 ' HG3' ' A' ' 97' ' ' PRO . 70.6 mtp85 -135.71 108.41 7.5 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 176.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -133.27 169.26 17.15 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 103.371 -2.825 . . . . 0.0 103.371 174.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -96.6 115.35 35.81 Favored 'Isoleucine or valine' 0 C--N 1.365 1.262 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.7 mm -111.92 140.73 30.09 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 C-N-CA 126.645 1.978 . . . . 0.0 106.922 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.7 m -105.54 120.71 42.32 Favored 'General case' 0 C--N 1.369 1.416 0 CA-C-N 119.352 0.978 . . . . 0.0 110.806 -174.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.448 ' CZ ' HG23 ' A' ' 102' ' ' ILE . 93.2 m-85 -112.79 135.71 53.23 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 116.582 2.067 . . . . 0.0 116.582 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -121.19 154.49 36.17 Favored 'General case' 0 C--N 1.384 2.102 0 C-N-CA 128.114 2.566 . . . . 0.0 112.653 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.8 p -123.81 162.3 23.5 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 124.738 1.215 . . . . 0.0 110.523 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -105.21 116.58 32.18 Favored 'General case' 0 C--N 1.362 1.123 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 t -139.67 148.05 23.5 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 O-C-N 121.399 -0.813 . . . . 0.0 109.979 -166.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -87.97 60.85 6.06 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 125.232 1.413 . . . . 0.0 112.31 175.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.5 101.35 13.05 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 128.443 2.697 . . . . 0.0 108.214 177.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.8 t -139.41 -163.59 1.52 Allowed 'General case' 0 C--N 1.355 0.817 0 C-N-CA 125.1 1.36 . . . . 0.0 110.676 -174.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -108.96 -6.17 15.81 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.98 2.512 . . . . 0.0 111.346 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.2 -57.87 0.51 Allowed Glycine 0 C--N 1.36 1.912 0 C-N-CA 126.917 2.198 . . . . 0.0 113.293 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -107.55 -40.26 5.39 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.604 1.561 . . . . 0.0 113.652 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.39 59.03 4.96 Favored Glycine 0 C--N 1.368 2.345 0 O-C-N 119.721 -1.862 . . . . 0.0 115.612 -174.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.8 100.58 1.06 Allowed Glycine 0 C--N 1.355 1.612 0 C-N-CA 127.781 2.61 . . . . 0.0 110.494 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -110.4 64.1 0.61 Allowed 'General case' 0 C--N 1.357 0.922 0 CA-C-O 123.695 1.712 . . . . 0.0 109.389 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.7 t -150.58 -167.97 2.97 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 126.544 1.938 . . . . 0.0 107.494 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -112.34 138.74 48.64 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 126.464 1.906 . . . . 0.0 110.915 -171.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -124.52 141.46 52.07 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.173 1.389 . . . . 0.0 110.146 -175.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -87.75 112.8 22.8 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 128.375 2.67 . . . . 0.0 113.501 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.0 m -133.8 161.8 40.45 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -72.59 122.59 21.62 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.386 2.275 . . . . 0.0 113.611 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -84.42 -45.11 13.05 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 129.136 2.974 . . . . 0.0 110.021 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 4.7 p90 -171.79 176.85 3.52 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.4 m -141.4 132.37 26.07 Favored 'General case' 0 CA--C 1.497 -1.062 1 N-CA-C 99.221 -4.363 . . . . 0.0 99.221 172.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.56 163.18 36.61 Favored 'General case' 0 CA--C 1.5 -0.967 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.73 113.38 20.35 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 125.321 1.448 . . . . 0.0 108.085 175.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -165.08 170.44 15.05 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.271 -167.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -119.63 107.73 13.61 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 102.043 -3.317 . . . . 0.0 102.043 171.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.6 t -126.96 98.82 4.96 Favored 'Isoleucine or valine' 0 C--N 1.361 1.084 1 N-CA-C 99.209 -4.367 . . . . 0.0 99.209 -175.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.68 163.02 53.73 Favored Pre-proline 0 C--N 1.379 1.849 0 C-N-CA 125.521 1.528 . . . . 0.0 111.246 -172.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -71.54 145.9 48.29 Favored 'Trans proline' 0 C--N 1.374 1.882 1 C-N-CA 125.593 4.196 . . . . 0.0 110.568 171.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 pt -33.85 58.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.715 1 N-CA-C 122.722 4.341 . . . . 0.0 122.722 -178.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.0 t 67.21 29.72 7.56 Favored 'General case' 0 C--N 1.369 1.423 0 C-N-CA 128.346 2.658 . . . . 0.0 114.983 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 119.86 -150.33 0.0 OUTLIER 'General case' 0 C--N 1.358 0.967 1 C-N-CA 133.437 4.695 . . . . 0.0 101.565 -174.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -101.23 2.73 40.24 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 120.529 1.513 . . . . 0.0 111.358 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 70.28 -83.25 0.03 OUTLIER 'General case' 0 C--N 1.368 1.399 0 C-N-CA 128.685 2.794 . . . . 0.0 113.454 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -97.37 -22.26 16.72 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 126.483 1.913 . . . . 0.0 114.828 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -88.27 158.24 18.53 Favored 'General case' 0 C--N 1.363 1.175 0 N-CA-C 116.833 2.16 . . . . 0.0 116.833 -168.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -88.58 178.83 6.41 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 127.077 2.151 . . . . 0.0 114.015 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.0 5.34 41.33 Favored 'General case' 0 C--N 1.363 1.172 0 N-CA-C 118.457 2.762 . . . . 0.0 118.457 -171.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -156.3 156.72 34.5 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 104.328 -2.471 . . . . 0.0 104.328 174.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 88.68 45.13 0.01 OUTLIER 'General case' 0 C--N 1.358 0.967 0 C-N-CA 130.212 3.405 . . . . 0.0 106.789 -173.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.4 tp -122.46 72.29 1.06 Allowed 'General case' 0 C--N 1.357 0.925 0 C-N-CA 125.504 1.522 . . . . 0.0 108.894 -176.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -95.32 9.8 38.52 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.271 1.828 . . . . 0.0 111.372 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 83.5 m -158.59 133.2 5.38 Favored Pre-proline 0 C--N 1.353 0.742 0 N-CA-C 104.628 -2.36 . . . . 0.0 104.628 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.1 153.42 24.89 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 C-N-CA 124.658 3.572 . . . . 0.0 114.774 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 88.2 mt -104.57 -40.48 6.11 Favored 'Isoleucine or valine' 0 C--N 1.367 1.34 0 C-N-CA 125.036 1.334 . . . . 0.0 111.463 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -174.26 150.75 11.87 Favored Glycine 0 CA--C 1.484 -1.871 0 O-C-N 118.782 -2.449 . . . . 0.0 111.749 175.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -122.2 143.58 49.49 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 122.919 1.342 . . . . 0.0 108.468 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -127.53 120.92 29.35 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 127.471 2.308 . . . . 0.0 105.338 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -149.27 145.98 17.47 Favored 'Isoleucine or valine' 0 C--N 1.35 0.61 0 CA-C-O 122.458 1.123 . . . . 0.0 113.227 -170.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.309 0.9 OUTLIER -131.72 132.76 44.14 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 126.141 1.776 . . . . 0.0 107.47 166.439 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.0 t -139.55 146.04 46.27 Favored Pre-proline 0 C--N 1.371 1.512 0 N-CA-C 104.103 -2.555 . . . . 0.0 104.103 174.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.441 ' HG3' HH22 ' A' ' 40' ' ' ARG . 97.5 Cg_endo -73.81 126.94 11.11 Favored 'Trans proline' 0 C--N 1.364 1.373 0 C-N-CA 124.999 3.799 . . . . 0.0 110.232 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.364 1.0 OUTLIER 46.46 -5.76 0.0 OUTLIER 'General case' 0 C--N 1.359 0.992 1 C-N-CA 132.344 4.257 . . . . 0.0 121.553 -175.789 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.77 125.96 35.12 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 119.308 -2.12 . . . . 0.0 112.656 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -110.92 24.82 12.46 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 127.317 2.247 . . . . 0.0 108.736 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.45 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 92.9 mtt180 -102.38 -12.35 17.96 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 117.588 2.44 . . . . 0.0 117.588 -171.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.52 HG12 ' H ' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -47.41 -72.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.368 1.412 1 C-N-CA 132.22 4.208 . . . . 0.0 119.399 -177.693 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.52 ' H ' HG12 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -104.95 165.22 11.22 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 128.187 2.595 . . . . 0.0 109.666 179.066 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 118' ' ' ILE 0.339 47.2 tttm 103.0 77.23 0.0 OUTLIER 'General case' 0 C--N 1.372 1.545 0 C-N-CA 127.612 2.365 . . . . 0.0 111.796 176.068 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.9 tttt 81.23 21.71 0.36 Allowed 'General case' 0 C--N 1.371 1.509 0 C-N-CA 127.273 2.229 . . . . 0.0 110.032 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 24.7 mmt -109.47 165.78 11.39 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 120.637 -1.29 . . . . 0.0 112.385 -171.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -127.92 129.26 46.55 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.385 2.274 . . . . 0.0 105.159 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.484 HG11 ' CZ ' ' A' ' 117' ' ' PHE . 6.1 p -136.5 151.74 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-O 122.563 1.173 . . . . 0.0 110.021 -172.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.417 HG21 ' H ' ' A' ' 112' ' ' GLY . 4.1 mp -120.11 107.41 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 CA-C-N 112.819 -1.991 . . . . 0.0 107.005 174.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.11 101.56 13.32 Favored 'General case' 0 C--N 1.382 1.993 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 169.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 52.1 34.4 14.07 Favored 'General case' 0 C--N 1.367 1.361 0 N-CA-C 118.052 2.612 . . . . 0.0 118.052 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.417 ' H ' HG21 ' A' ' 109' ' ' ILE . . . 93.01 11.25 58.99 Favored Glycine 0 C--N 1.36 1.913 0 C-N-CA 125.433 1.492 . . . . 0.0 116.749 -173.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -105.95 115.42 30.19 Favored 'General case' 0 C--N 1.36 1.064 0 CA-C-N 119.667 1.734 . . . . 0.0 110.102 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.3 pt -94.11 112.8 27.54 Favored 'Isoleucine or valine' 0 C--N 1.366 1.321 0 C-N-CA 125.953 1.701 . . . . 0.0 114.157 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.4 t -131.77 155.86 42.05 Favored 'Isoleucine or valine' 0 C--N 1.365 1.276 0 C-N-CA 126.872 2.069 . . . . 0.0 108.5 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.9 t -127.7 141.61 51.55 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.484 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -162.72 172.72 14.86 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 117.316 2.339 . . . . 0.0 117.316 -164.494 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.44 ' HA ' ' HA ' ' A' ' 104' ' ' LYS . 24.0 pt -124.75 173.2 11.22 Favored 'Isoleucine or valine' 0 C--N 1.372 1.546 0 C-N-CA 131.214 3.806 . . . . 0.0 110.09 177.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 163.16 -158.73 31.15 Favored Glycine 0 C--N 1.364 2.127 0 N-CA-C 107.536 -2.226 . . . . 0.0 107.536 -176.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -158.83 109.39 1.6 Allowed Pre-proline 0 C--N 1.363 1.168 0 C-N-CA 125.748 1.619 . . . . 0.0 110.117 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -88.36 146.25 6.17 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 125.0 3.8 . . . . 0.0 115.072 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.0 t -132.52 147.69 31.9 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 N-CA-C 103.329 -2.841 . . . . 0.0 103.329 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -90.53 123.94 34.61 Favored 'General case' 0 C--N 1.372 1.567 0 C-N-CA 125.843 1.657 . . . . 0.0 108.623 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.4 tp -93.3 -36.51 12.52 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 117.705 2.483 . . . . 0.0 117.705 -169.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . 0.378 83.4 p 102.94 -112.89 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 127.71 2.404 . . . . 0.0 111.234 -176.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 90.54 -57.93 3.42 Favored Glycine 0 C--N 1.363 2.067 0 C-N-CA 127.439 2.447 . . . . 0.0 116.49 177.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 60.0 tp -150.19 -59.04 0.19 Allowed 'General case' 0 C--N 1.352 0.704 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -101.22 -126.81 0.2 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.506 2.322 . . . . 0.0 105.813 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -127.26 88.98 2.89 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 119.101 -2.25 . . . . 0.0 106.26 174.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.4 pp -92.39 133.92 32.18 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 O-C-N 118.967 -2.333 . . . . 0.0 109.916 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 48.2 m -98.55 130.64 45.11 Favored 'General case' 0 C--N 1.361 1.08 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -125.02 132.36 53.25 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 126.017 1.727 . . . . 0.0 107.584 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.54 145.07 36.13 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.872 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -128.08 121.61 30.07 Favored 'General case' 0 C--N 1.358 0.944 0 N-CA-C 104.422 -2.436 . . . . 0.0 104.422 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -133.49 124.77 3.78 Favored Glycine 0 C--N 1.359 1.835 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? -126.99 137.44 53.1 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 104.648 -2.353 . . . . 0.0 104.648 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -117.21 127.67 54.33 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 126.49 1.916 . . . . 0.0 108.521 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 20.6 t70 77.1 -65.05 0.3 Allowed 'General case' 0 C--N 1.367 1.335 0 C-N-CA 127.385 2.274 . . . . 0.0 113.595 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 138.87 -161.1 25.85 Favored Glycine 0 C--N 1.358 1.755 0 CA-C-O 123.081 1.378 . . . . 0.0 112.573 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -102.41 57.24 0.79 Allowed 'General case' 0 C--N 1.352 0.695 0 C-N-CA 127.444 2.298 . . . . 0.0 110.083 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -117.91 105.49 11.97 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 126.765 2.026 . . . . 0.0 106.239 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 10.2 p -120.38 141.24 41.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 C-N-CA 125.342 1.457 . . . . 0.0 108.26 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.423 0 N-CA-C 107.295 -2.322 . . . . 0.0 107.295 -179.529 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.436 -1.171 0 CA-C-O 122.257 1.027 . . . . 0.0 108.583 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -72.61 30.67 0.06 Allowed 'General case' 0 C--N 1.358 0.951 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 -177.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -162.14 40.12 0.12 Allowed 'General case' 0 C--N 1.351 0.667 0 C-N-CA 127.102 2.161 . . . . 0.0 105.91 177.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -123.57 69.43 1.03 Allowed 'General case' 0 C--N 1.358 0.944 0 O-C-N 120.267 -1.521 . . . . 0.0 109.213 -177.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.435 ' CZ ' ' CE2' ' A' ' 95' ' ' TYR . 27.1 m-85 -114.87 84.04 2.0 Favored 'General case' 0 C--N 1.359 1.01 0 C-N-CA 126.71 2.004 . . . . 0.0 108.16 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -90.77 -9.68 45.7 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 125.46 1.504 . . . . 0.0 111.586 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -116.84 135.5 53.69 Favored 'General case' 0 C--N 1.364 1.222 0 O-C-N 120.907 -1.121 . . . . 0.0 111.589 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.4 m -108.32 116.36 51.39 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 N-CA-C 103.522 -2.77 . . . . 0.0 103.522 172.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.31 171.01 14.65 Favored 'Isoleucine or valine' 0 C--N 1.344 0.342 0 O-C-N 119.895 -1.753 . . . . 0.0 112.561 -166.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -115.7 113.34 23.36 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 124.24 1.016 . . . . 0.0 111.32 -169.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.42 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 27.7 m-85 -107.61 130.5 54.89 Favored 'General case' 0 C--N 1.362 1.117 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -175.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -120.97 159.48 25.51 Favored 'General case' 0 C--N 1.386 2.17 0 C-N-CA 126.863 2.065 . . . . 0.0 115.533 -171.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 m -145.55 148.38 33.12 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 125.772 1.629 . . . . 0.0 109.772 173.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -115.65 125.95 53.53 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 125.942 1.697 . . . . 0.0 108.654 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.0 p -112.11 133.02 59.16 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 175.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -160.08 173.28 16.06 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -174.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -164.84 129.75 2.61 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 103.617 -2.735 . . . . 0.0 103.617 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 p -74.4 63.05 1.02 Allowed 'General case' 0 C--N 1.362 1.122 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . 0.267 63.4 t30 101.63 -71.36 0.0 OUTLIER 'General case' 0 C--N 1.362 1.134 0 C-N-CA 130.475 3.51 . . . . 0.0 110.209 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 33.41 -87.61 0.01 OUTLIER Glycine 0 C--N 1.369 2.392 0 C-N-CA 130.025 3.679 . . . . 0.0 120.625 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -102.96 30.63 4.66 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 125.896 1.678 . . . . 0.0 114.106 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.3 27.07 10.31 Favored Glycine 0 C--N 1.363 2.04 0 C-N-CA 125.477 1.513 . . . . 0.0 114.215 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -99.42 84.26 0.62 Allowed Glycine 0 C--N 1.353 1.51 0 C-N-CA 127.002 2.239 . . . . 0.0 112.557 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -104.02 12.93 33.53 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 126.805 2.042 . . . . 0.0 110.864 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.4 m -154.58 150.82 28.14 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 102.358 -3.201 . . . . 0.0 102.358 177.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -117.72 166.84 11.95 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 124.882 1.273 . . . . 0.0 110.917 -173.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -122.95 122.97 39.85 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-O 121.572 0.701 . . . . 0.0 111.822 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -104.32 123.47 47.45 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 127.678 2.391 . . . . 0.0 107.023 175.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.7 m -131.14 161.27 41.36 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 O-C-N 121.248 -0.907 . . . . 0.0 109.299 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -90.24 115.02 27.14 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 127.506 2.322 . . . . 0.0 104.889 172.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -68.59 -48.57 63.83 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 127.552 2.341 . . . . 0.0 112.457 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.42 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 2.3 p90 -171.07 172.22 5.49 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.02 132.44 41.86 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 101.117 -3.661 . . . . 0.0 101.117 176.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.1 164.2 38.14 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 122.353 1.073 . . . . 0.0 113.893 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.88 121.41 27.69 Favored 'General case' 0 C--N 1.363 1.152 0 C-N-CA 126.501 1.921 . . . . 0.0 107.338 171.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.09 164.58 22.82 Favored 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 120.601 -1.312 . . . . 0.0 107.711 -172.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -124.5 106.15 9.95 Favored 'General case' 0 C--N 1.359 1.014 0 N-CA-C 101.818 -3.401 . . . . 0.0 101.818 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.447 HG22 HG23 ' A' ' 102' ' ' ILE . 36.8 t -107.26 117.12 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 128.142 2.577 . . . . 0.0 104.554 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -140.9 164.19 37.74 Favored Pre-proline 0 C--N 1.357 0.914 0 O-C-N 120.296 -1.503 . . . . 0.0 110.327 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -69.11 156.2 65.76 Favored 'Trans proline' 0 CA--C 1.552 1.414 1 C-N-CA 125.752 4.301 . . . . 0.0 113.071 175.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 tt -70.32 32.9 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.561 1.402 0 CA-C-N 122.094 2.225 . . . . 0.0 116.765 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.1 m 169.45 107.11 0.01 OUTLIER 'General case' 0 C--N 1.355 0.818 0 C-N-CA 130.412 3.485 . . . . 0.0 107.635 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -91.7 13.94 16.68 Favored 'General case' 0 C--N 1.368 1.371 0 O-C-N 119.868 -1.77 . . . . 0.0 113.36 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -85.46 9.4 15.84 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 129.11 2.964 . . . . 0.0 112.594 177.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -147.11 160.94 41.82 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 127.267 2.227 . . . . 0.0 105.255 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -79.08 -20.29 49.15 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 129.272 3.029 . . . . 0.0 115.257 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -166.0 -162.64 0.56 Allowed 'General case' 0 C--N 1.351 0.641 0 N-CA-C 103.623 -2.732 . . . . 0.0 103.623 -177.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -130.2 73.7 1.55 Allowed 'General case' 0 C--N 1.351 0.667 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 173.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.11 -21.19 64.96 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 117.886 2.55 . . . . 0.0 117.886 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -118.55 90.86 3.42 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 126.58 1.952 . . . . 0.0 111.929 -177.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -89.66 72.13 7.77 Favored 'General case' 0 C--N 1.366 1.289 0 O-C-N 119.264 -2.148 . . . . 0.0 115.165 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.9 tp -137.92 138.0 38.57 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 102.589 -3.115 . . . . 0.0 102.589 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 80.86 -67.24 0.12 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.329 2.252 . . . . 0.0 112.111 -175.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.6 m -117.89 107.37 44.24 Favored Pre-proline 0 C--N 1.354 0.778 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -80.03 124.14 5.4 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 124.057 3.172 . . . . 0.0 110.572 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . 0.314 13.4 tt -1.77 81.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.374 1.655 1 C-N-CA 132.057 4.143 . . . . 0.0 119.065 179.246 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -108.87 149.04 16.98 Favored Glycine 0 C--N 1.365 2.177 0 CA-C-N 114.742 -1.117 . . . . 0.0 113.797 -171.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.42 ' CE1' HG21 ' A' ' 115' ' ' VAL . 4.6 m-85 -113.14 159.02 19.67 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 124.833 2.254 . . . . 0.0 111.548 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -124.38 120.58 32.52 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 103.174 -2.898 . . . . 0.0 103.174 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.405 HD12 HG22 ' A' ' 72' ' ' VAL . 3.6 mm -120.81 133.02 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 C-N-CA 124.88 1.272 . . . . 0.0 108.254 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.435 ' CE2' ' CZ ' ' A' ' 39' ' ' PHE 0.391 1.8 p90 -129.82 140.55 51.0 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 164.601 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 m -139.82 151.88 66.8 Favored Pre-proline 0 C--N 1.354 0.774 0 C-N-CA 126.235 1.814 . . . . 0.0 108.324 -171.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -75.8 125.78 9.02 Favored 'Trans proline' 0 CA--C 1.556 1.588 0 CA-C-N 125.591 3.032 . . . . 0.0 108.229 162.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.361 0.0 OUTLIER 34.51 2.42 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.911 2 N-CA-C 124.731 5.086 . . . . 0.0 124.731 -176.201 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -103.38 131.94 50.05 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 119.694 -1.879 . . . . 0.0 112.261 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -107.68 25.95 10.88 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 126.486 1.914 . . . . 0.0 111.513 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.9 ttp-105 -102.54 1.42 34.95 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 119.506 3.15 . . . . 0.0 119.506 -167.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.447 HG23 HG22 ' A' ' 72' ' ' VAL . 3.2 mp -72.0 -67.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.673 0 CA-C-N 123.531 2.878 . . . . 0.0 113.194 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.483 ' HB3' ' CE1' ' A' ' 117' ' ' PHE . 35.3 p30 -116.11 113.79 23.62 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -165.96 53.28 0.1 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 174.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.7 tttp 76.75 69.02 0.06 Allowed 'General case' 0 C--N 1.372 1.557 0 C-N-CA 129.587 3.155 . . . . 0.0 111.085 -174.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 20.9 mtt -148.64 176.8 10.04 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 124.533 1.133 . . . . 0.0 108.835 -169.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 mpm_? -133.97 134.41 42.48 Favored 'General case' 0 C--N 1.367 1.342 0 N-CA-C 106.175 -1.787 . . . . 0.0 106.175 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.22 146.16 33.54 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 CA-C-O 122.699 1.237 . . . . 0.0 113.617 -176.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.3 mp -105.17 107.45 22.61 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 170.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.454 ' N ' ' CD1' ' A' ' 110' ' ' TYR 0.253 1.3 p90 -112.08 111.54 22.52 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 126.741 2.016 . . . . 0.0 107.459 173.792 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 58.81 31.71 21.51 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 126.939 2.096 . . . . 0.0 116.584 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.42 -2.21 86.34 Favored Glycine 0 C--N 1.359 1.812 0 N-CA-C 116.22 1.248 . . . . 0.0 116.22 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -97.02 140.95 30.78 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 125.739 1.616 . . . . 0.0 108.443 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 12.1 mt -118.68 124.61 73.42 Favored 'Isoleucine or valine' 0 C--N 1.369 1.431 0 CA-C-N 119.366 0.985 . . . . 0.0 109.739 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.42 HG21 ' CE1' ' A' ' 92' ' ' TYR . 9.8 p -131.78 152.1 36.4 Favored 'Isoleucine or valine' 0 C--N 1.36 1.022 0 C-N-CA 125.298 1.439 . . . . 0.0 110.561 177.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.1 t -119.07 135.54 54.59 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 129.04 2.936 . . . . 0.0 106.944 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -171.35 158.8 5.46 Favored 'General case' 0 C--N 1.367 1.354 0 N-CA-C 116.087 1.884 . . . . 0.0 116.087 -172.296 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 tp -120.2 118.45 56.86 Favored 'Isoleucine or valine' 0 C--N 1.37 1.498 0 C-N-CA 125.97 1.708 . . . . 0.0 108.902 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -126.69 174.64 18.07 Favored Glycine 0 C--N 1.363 2.047 0 O-C-N 120.546 -1.346 . . . . 0.0 115.564 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -129.32 128.6 23.22 Favored Pre-proline 0 C--N 1.357 0.896 0 C-N-CA 127.386 2.274 . . . . 0.0 109.282 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -96.43 153.65 1.27 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 123.901 3.068 . . . . 0.0 114.975 -177.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 18.0 t -131.99 126.32 56.43 Favored 'Isoleucine or valine' 0 C--N 1.368 1.381 0 C-N-CA 128.406 2.682 . . . . 0.0 107.758 175.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -102.02 153.85 19.51 Favored 'General case' 0 C--N 1.368 1.401 0 O-C-N 119.843 -1.786 . . . . 0.0 112.657 177.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -93.15 -2.25 55.53 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 128.52 2.728 . . . . 0.0 114.889 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.3 m -24.09 86.96 0.0 OUTLIER 'General case' 0 C--N 1.368 1.386 0 N-CA-C 121.222 3.786 . . . . 0.0 121.222 -177.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.71 -21.77 8.95 Favored Glycine 0 C--N 1.354 1.58 0 N-CA-C 111.711 -0.556 . . . . 0.0 111.711 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 28.7 tp -101.1 -45.27 5.44 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 125.706 1.603 . . . . 0.0 108.319 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -144.83 -168.61 2.97 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 175.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -127.19 17.07 7.19 Favored 'General case' 0 C--N 1.364 1.226 0 CA-C-O 123.737 1.732 . . . . 0.0 109.82 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.8 pp -107.11 140.74 24.27 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 O-C-N 120.093 -1.629 . . . . 0.0 111.087 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 23.6 m -98.73 138.59 35.67 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 125.145 1.378 . . . . 0.0 108.916 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -119.74 122.68 41.96 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.5 mp -123.22 134.39 66.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -119.67 132.78 55.76 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 175.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.53 144.76 13.13 Favored Glycine 0 C--N 1.368 2.328 0 C-N-CA 124.988 1.28 . . . . 0.0 111.277 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -126.91 172.46 10.41 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -101.87 108.1 19.47 Favored 'General case' 0 C--N 1.37 1.491 0 O-C-N 120.53 -1.356 . . . . 0.0 107.774 177.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -171.18 -161.55 0.22 Allowed 'General case' 0 C--N 1.355 0.818 0 N-CA-C 104.447 -2.427 . . . . 0.0 104.447 -176.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -168.93 -179.52 41.07 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 107.015 -2.434 . . . . 0.0 107.015 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -127.91 101.0 6.14 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 118.492 1.146 . . . . 0.0 110.475 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -164.59 168.69 17.92 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 104.734 -2.321 . . . . 0.0 104.734 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 15.6 m -98.1 -13.59 8.03 Favored 'Isoleucine or valine' 0 C--N 1.361 1.104 0 C-N-CA 126.602 1.961 . . . . 0.0 114.534 -176.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 1.77 0 C-N-CA 125.189 1.376 . . . . 0.0 113.041 179.815 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.5 ppp? . . . . . 0 N--CA 1.442 -0.849 0 CA-C-O 121.692 0.758 . . . . 0.0 109.111 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -104.58 92.53 4.33 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.803 1.641 . . . . 0.0 106.913 177.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 86.9 -17.06 0.37 Allowed 'General case' 0 C--N 1.367 1.352 0 C-N-CA 131.491 3.917 . . . . 0.0 112.049 -175.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 84.39 43.44 0.02 OUTLIER 'General case' 0 C--N 1.363 1.176 0 C-N-CA 131.493 3.917 . . . . 0.0 108.413 -173.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -111.82 127.36 55.79 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 126.67 1.988 . . . . 0.0 112.347 -172.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -141.23 93.53 2.59 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -124.03 150.73 44.57 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.1 t -97.15 115.46 36.86 Favored 'Isoleucine or valine' 0 C--N 1.368 1.375 0 CA-C-O 123.515 1.626 . . . . 0.0 108.2 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 pt -117.22 170.56 6.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 O-C-N 120.338 -1.476 . . . . 0.0 109.979 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.7 m -121.38 125.43 46.93 Favored 'General case' 0 C--N 1.373 1.628 0 O-C-N 120.736 -1.227 . . . . 0.0 110.625 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.426 ' CG ' ' CZ ' ' A' ' 66' ' ' PHE . 75.1 m-85 -105.34 130.89 53.35 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 125.964 1.706 . . . . 0.0 110.873 179.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -131.81 146.33 52.08 Favored 'General case' 0 C--N 1.373 1.594 0 C-N-CA 125.912 1.685 . . . . 0.0 110.579 -176.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.4 p -126.36 157.78 37.59 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 120.534 -1.354 . . . . 0.0 112.981 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -107.23 118.72 37.45 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 129.711 3.204 . . . . 0.0 104.47 176.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.9 p -144.78 155.09 14.34 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 O-C-N 120.758 -1.214 . . . . 0.0 110.98 -168.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -87.39 -26.74 23.17 Favored 'General case' 0 C--N 1.367 1.351 0 N-CA-C 114.673 1.361 . . . . 0.0 114.673 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.21 -55.08 0.51 Allowed 'General case' 0 C--N 1.361 1.065 0 C-N-CA 127.327 2.251 . . . . 0.0 116.892 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . 0.268 10.7 t 106.94 13.32 0.0 OUTLIER 'General case' 0 C--N 1.368 1.398 0 C-N-CA 130.859 3.664 . . . . 0.0 111.9 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.1 p-10 -149.03 62.02 1.05 Allowed 'General case' 0 C--N 1.353 0.737 0 C-N-CA 123.787 0.835 . . . . 0.0 111.244 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -140.65 65.64 0.51 Allowed Glycine 0 C--N 1.358 1.783 0 N-CA-C 107.87 -2.092 . . . . 0.0 107.87 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 81.91 -40.12 0.12 Allowed 'General case' 0 C--N 1.365 1.255 0 C-N-CA 128.441 2.696 . . . . 0.0 113.304 -176.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -153.0 -146.52 4.38 Favored Glycine 0 C--N 1.35 1.359 0 N-CA-C 103.727 -3.749 . . . . 0.0 103.727 172.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -139.26 28.5 2.58 Favored Glycine 0 C--N 1.358 1.796 0 CA-C-N 118.898 1.349 . . . . 0.0 111.971 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -124.51 52.2 1.54 Allowed 'General case' 0 C--N 1.359 0.99 0 C-N-CA 125.546 1.538 . . . . 0.0 108.669 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.0 t -153.98 149.22 27.01 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 104.602 -2.37 . . . . 0.0 104.602 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -113.91 127.9 56.17 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 124.759 1.223 . . . . 0.0 111.165 -176.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -120.95 142.75 49.45 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.226 1.811 . . . . 0.0 109.648 -175.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -91.23 131.34 36.82 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.687 1.995 . . . . 0.0 111.606 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.2 p -143.4 164.29 15.7 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.37 146.44 26.46 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 125.855 1.662 . . . . 0.0 107.867 173.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -100.8 -61.65 1.34 Allowed 'General case' 0 C--N 1.354 0.78 0 CA-C-O 122.623 1.202 . . . . 0.0 110.05 -174.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.426 ' CZ ' ' CG ' ' A' ' 45' ' ' PHE . 5.4 p90 -162.93 174.53 12.23 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 104.878 -2.268 . . . . 0.0 104.878 -177.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -135.88 133.23 37.52 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 101.752 -3.425 . . . . 0.0 101.752 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.72 164.84 33.18 Favored 'General case' 0 CA--C 1.498 -1.055 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.98 114.53 20.62 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 123.947 1.832 . . . . 0.0 106.529 170.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -158.12 166.83 31.49 Favored 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 114.185 -1.371 . . . . 0.0 107.727 -172.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -128.22 107.53 9.86 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 101.758 -3.423 . . . . 0.0 101.758 171.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.1 t -110.33 103.24 15.18 Favored 'Isoleucine or valine' 0 C--N 1.373 1.614 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -138.61 152.77 71.54 Favored Pre-proline 0 C--N 1.361 1.106 0 O-C-N 118.806 -2.434 . . . . 0.0 111.938 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -71.61 150.03 56.29 Favored 'Trans proline' 0 C--N 1.364 1.381 0 C-N-CA 124.996 3.797 . . . . 0.0 113.937 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.6 tt -92.69 63.62 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.174 0 CA-C-O 125.471 2.557 . . . . 0.0 110.337 175.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.7 p -79.0 81.35 5.28 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 128.978 2.911 . . . . 0.0 111.776 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -127.23 -116.34 0.27 Allowed 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 -177.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -80.63 -46.17 16.09 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.739 1.616 . . . . 0.0 112.55 177.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 77.47 74.87 0.07 Allowed 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.348 2.659 . . . . 0.0 109.645 -176.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -71.95 -12.38 61.22 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 117.971 2.582 . . . . 0.0 117.971 -170.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.0 t80 97.76 174.61 0.01 OUTLIER 'General case' 0 C--N 1.362 1.145 0 C-N-CA 130.045 3.338 . . . . 0.0 109.477 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -161.68 151.81 17.11 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 103.263 -2.865 . . . . 0.0 103.263 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.87 29.73 0.09 Allowed 'General case' 0 C--N 1.361 1.081 0 C-N-CA 127.741 2.417 . . . . 0.0 117.246 -176.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -116.08 130.46 56.82 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.739 2.016 . . . . 0.0 108.872 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -112.99 27.88 9.26 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 127.09 2.156 . . . . 0.0 109.627 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.8 tp -154.97 83.03 1.08 Allowed 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.958 1.303 . . . . 0.0 107.903 -176.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -161.72 179.4 8.16 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.8 p -96.76 141.35 22.95 Favored Pre-proline 0 C--N 1.358 0.939 0 C-N-CA 128.437 2.695 . . . . 0.0 107.354 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.62 123.48 7.0 Favored 'Trans proline' 0 C--N 1.358 1.061 0 CA-C-N 125.212 2.897 . . . . 0.0 110.72 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . 0.288 55.2 mt 86.88 114.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.366 1.326 0 C-N-CA 129.239 3.016 . . . . 0.0 107.841 -170.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -93.01 176.44 37.52 Favored Glycine 0 C--N 1.358 1.776 0 O-C-N 119.683 -1.886 . . . . 0.0 111.988 176.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.277 6.2 m-85 -106.09 157.22 17.7 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-O 125.32 2.486 . . . . 0.0 109.555 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER -127.35 118.06 23.42 Favored 'General case' 0 N--CA 1.441 -0.899 1 N-CA-C 99.581 -4.229 . . . . 0.0 99.581 176.475 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.1 mt -147.09 142.23 20.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 O-C-N 121.101 -0.999 . . . . 0.0 110.947 -169.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.14 139.2 52.03 Favored 'General case' 0 C--N 1.368 1.396 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 169.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.1 t -139.99 142.25 29.91 Favored Pre-proline 0 C--N 1.368 1.406 0 N-CA-C 103.127 -2.916 . . . . 0.0 103.127 162.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -61.06 126.85 20.54 Favored 'Trans proline' 0 C--N 1.369 1.62 1 C-N-CA 125.337 4.025 . . . . 0.0 112.052 176.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.364 0.7 OUTLIER 28.32 16.56 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.664 2 C-N-CA 135.826 5.651 . . . . 0.0 122.432 -174.338 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -103.34 131.26 50.55 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 119.98 -1.7 . . . . 0.0 110.281 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -99.8 31.81 3.11 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 127.185 2.194 . . . . 0.0 112.438 -175.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -103.14 -47.58 4.29 Favored 'General case' 0 C--N 1.356 0.888 0 N-CA-C 118.071 2.619 . . . . 0.0 118.071 -176.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -9.31 -67.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.388 2.251 1 C-N-CA 133.058 4.543 . . . . 0.0 120.614 178.641 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -135.22 111.4 9.63 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 100.769 -3.789 . . . . 0.0 100.769 170.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -147.95 -83.9 0.11 Allowed 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 101.557 -3.498 . . . . 0.0 101.557 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -142.49 90.24 2.21 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 100.372 -3.936 . . . . 0.0 100.372 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.8 ttm -158.76 170.78 21.38 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 120.527 -1.358 . . . . 0.0 111.455 -169.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -128.85 134.51 48.34 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.8 m -134.84 151.21 30.88 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 O-C-N 120.487 -1.383 . . . . 0.0 109.075 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.4 pt -112.19 107.8 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 101.863 -3.384 . . . . 0.0 101.863 166.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -96.6 107.16 19.55 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 130.596 3.558 . . . . 0.0 103.855 173.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 46.29 32.73 1.59 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 128.818 2.847 . . . . 0.0 118.468 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.63 8.47 62.26 Favored Glycine 0 C--N 1.364 2.124 0 C-N-CA 126.059 1.79 . . . . 0.0 116.065 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -110.81 124.3 51.76 Favored 'General case' 0 C--N 1.361 1.07 0 CA-C-N 119.597 1.698 . . . . 0.0 108.028 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.3 tt -92.54 127.72 44.54 Favored 'Isoleucine or valine' 0 C--N 1.363 1.189 0 CA-C-O 123.38 1.562 . . . . 0.0 113.86 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.7 t -128.66 137.62 56.83 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 C-N-CA 127.447 2.299 . . . . 0.0 108.665 -175.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.1 t -123.88 126.53 46.56 Favored 'General case' 0 C--N 1.368 1.374 0 N-CA-C 104.909 -2.256 . . . . 0.0 104.909 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.83 155.16 11.98 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-O 122.941 1.353 . . . . 0.0 114.572 -171.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 10.9 tt -117.48 135.17 58.73 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 C-N-CA 127.468 2.307 . . . . 0.0 108.694 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -156.99 -169.77 21.23 Favored Glycine 0 C--N 1.36 1.897 0 O-C-N 120.291 -1.506 . . . . 0.0 112.076 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -151.6 96.72 3.15 Favored Pre-proline 0 C--N 1.362 1.126 0 C-N-CA 126.406 1.882 . . . . 0.0 111.718 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -72.69 146.82 44.0 Favored 'Trans proline' 0 CA--C 1.547 1.138 1 C-N-CA 125.66 4.24 . . . . 0.0 116.336 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.4 p -132.78 148.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 C-N-CA 125.774 1.63 . . . . 0.0 113.14 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -94.79 99.77 11.78 Favored 'General case' 0 C--N 1.367 1.357 0 O-C-N 120.006 -1.684 . . . . 0.0 108.074 172.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 31.3 tp -63.79 -11.29 25.53 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 129.569 3.148 . . . . 0.0 117.963 -173.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.3 p 173.52 -45.32 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 126.679 1.992 . . . . 0.0 107.593 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.86 -68.74 0.52 Allowed Glycine 0 CA--C 1.489 -1.533 0 N-CA-C 106.667 -2.573 . . . . 0.0 106.667 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . 0.257 0.1 OUTLIER 70.76 -92.11 0.03 OUTLIER 'General case' 0 C--N 1.358 0.963 0 C-N-CA 128.655 2.782 . . . . 0.0 113.501 177.305 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.94 23.72 11.24 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 126.363 1.865 . . . . 0.0 108.482 173.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 80.55 56.67 0.02 OUTLIER 'General case' 0 C--N 1.358 0.936 0 C-N-CA 129.023 2.929 . . . . 0.0 112.211 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 15.1 pt -100.7 131.53 48.12 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 C-N-CA 124.472 1.109 . . . . 0.0 113.218 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.3 m -110.41 119.47 39.31 Favored 'General case' 0 C--N 1.364 1.233 0 N-CA-C 104.445 -2.428 . . . . 0.0 104.445 170.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -123.97 138.08 54.52 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 125.464 1.506 . . . . 0.0 111.056 -172.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.13 120.38 64.71 Favored 'Isoleucine or valine' 0 C--N 1.356 0.879 0 N-CA-C 106.341 -1.725 . . . . 0.0 106.341 171.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -128.82 110.45 12.15 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 125.127 1.371 . . . . 0.0 108.06 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.99 142.96 10.8 Favored Glycine 0 C--N 1.358 1.754 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -144.27 126.93 16.11 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 175.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -131.34 132.79 44.73 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 124.431 1.092 . . . . 0.0 111.772 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.8 t70 53.2 -85.38 0.01 OUTLIER 'General case' 0 C--N 1.368 1.397 0 C-N-CA 128.667 2.787 . . . . 0.0 118.067 173.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 104.77 -66.0 0.29 Allowed Glycine 0 C--N 1.354 1.561 0 C-N-CA 125.977 1.751 . . . . 0.0 115.574 173.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . 82.17 -62.72 0.15 Allowed 'General case' 0 C--N 1.357 0.895 0 C-N-CA 128.324 2.65 . . . . 0.0 111.357 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -103.23 137.87 40.79 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 171.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 11.1 m -77.93 -36.05 21.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -173.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 1.855 0 C-N-CA 124.77 1.176 . . . . 0.0 113.345 -178.359 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.2 mtp . . . . . 0 N--CA 1.441 -0.908 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -104.82 125.84 51.28 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 126.853 2.061 . . . . 0.0 110.236 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -76.25 61.91 1.69 Allowed 'General case' 0 C--N 1.361 1.085 0 C-N-CA 127.486 2.314 . . . . 0.0 114.594 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 68.96 -53.45 0.57 Allowed 'General case' 0 C--N 1.366 1.292 0 C-N-CA 128.549 2.739 . . . . 0.0 115.166 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -159.96 130.29 5.54 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 175.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -156.14 99.01 1.91 Allowed 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 106.232 -1.766 . . . . 0.0 106.232 172.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -114.13 159.15 20.38 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 120.101 -1.625 . . . . 0.0 107.21 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -96.51 114.7 34.0 Favored 'Isoleucine or valine' 0 C--N 1.37 1.482 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.6 mt -107.3 156.3 7.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 128.662 2.785 . . . . 0.0 109.865 -170.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.5 m -120.8 111.23 17.3 Favored 'General case' 0 C--N 1.37 1.474 0 O-C-N 121.133 -0.979 . . . . 0.0 109.381 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 82.9 m-85 -107.48 132.75 52.88 Favored 'General case' 0 C--N 1.363 1.153 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -178.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.05 159.86 27.56 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 126.756 2.022 . . . . 0.0 108.849 171.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.3 t -121.14 148.77 43.75 Favored 'General case' 0 C--N 1.374 1.642 0 C-N-CA 128.118 2.567 . . . . 0.0 112.86 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -119.2 119.0 32.82 Favored 'General case' 0 C--N 1.359 1.021 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 t -110.08 117.78 55.5 Favored 'Isoleucine or valine' 0 C--N 1.361 1.092 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 176.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -131.52 127.47 37.31 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 104.697 -2.335 . . . . 0.0 104.697 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -169.33 157.31 7.4 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -173.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 t -100.72 136.94 39.79 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 125.583 1.553 . . . . 0.0 109.043 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -117.85 33.36 5.67 Favored 'General case' 0 C--N 1.361 1.095 0 CA-C-O 122.035 0.922 . . . . 0.0 110.642 -172.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.88 -47.58 1.01 Allowed Glycine 0 C--N 1.358 1.753 0 C-N-CA 126.593 2.044 . . . . 0.0 110.034 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -161.29 179.14 8.57 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 103.93 -2.619 . . . . 0.0 103.93 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.96 -66.44 0.52 Allowed Glycine 0 C--N 1.365 2.156 0 C-N-CA 124.736 1.16 . . . . 0.0 111.333 177.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.51 -72.1 2.56 Favored Glycine 0 C--N 1.358 1.774 0 O-C-N 121.28 -1.129 . . . . 0.0 114.003 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -96.76 62.45 1.93 Allowed 'General case' 0 C--N 1.355 0.813 0 C-N-CA 125.665 1.586 . . . . 0.0 112.939 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.8 t -129.97 113.63 14.83 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 104.956 -2.238 . . . . 0.0 104.956 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -135.17 166.13 23.8 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 125.136 1.375 . . . . 0.0 110.263 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -136.84 134.02 36.48 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 126.55 1.94 . . . . 0.0 109.466 173.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -107.94 122.86 47.69 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 129.437 3.095 . . . . 0.0 107.215 175.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -129.03 166.9 25.48 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 O-C-N 120.949 -1.094 . . . . 0.0 108.174 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -97.69 135.4 39.54 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 125.766 1.626 . . . . 0.0 107.155 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -98.19 -68.29 0.81 Allowed 'General case' 0 C--N 1.365 1.259 0 O-C-N 121.121 -0.987 . . . . 0.0 112.7 -173.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.424 ' CZ ' ' CD1' ' A' ' 45' ' ' PHE . 6.7 p90 -164.91 175.16 9.8 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -177.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 t -136.99 132.96 35.05 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 102.732 -3.062 . . . . 0.0 102.732 170.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.15 165.06 37.04 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.36 121.94 26.84 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.308 1.843 . . . . 0.0 109.386 177.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -169.01 171.88 7.93 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 122.803 1.287 . . . . 0.0 112.912 -162.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -129.58 122.06 28.37 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 165.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.6 t -107.72 102.11 13.49 Favored 'Isoleucine or valine' 0 C--N 1.374 1.652 0 N-CA-C 102.661 -3.088 . . . . 0.0 102.661 171.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -113.79 138.77 22.86 Favored Pre-proline 0 C--N 1.357 0.898 0 O-C-N 119.597 -1.939 . . . . 0.0 112.3 -172.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -71.61 155.89 58.42 Favored 'Trans proline' 0 CA--C 1.551 1.338 0 CA-C-N 126.359 3.307 . . . . 0.0 114.099 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.3 pt -65.38 64.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.379 1.887 0 C-N-CA 127.838 2.455 . . . . 0.0 112.963 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.0 m -55.93 96.61 0.02 OUTLIER 'General case' 0 C--N 1.348 0.506 1 C-N-CA 133.67 4.788 . . . . 0.0 117.29 -173.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -95.2 169.34 10.16 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 127.508 2.323 . . . . 0.0 111.621 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -100.01 7.83 44.45 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 126.123 1.769 . . . . 0.0 114.285 -173.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . 0.396 7.7 pt-20 64.87 -42.56 0.31 Allowed 'General case' 0 C--N 1.358 0.946 0 C-N-CA 130.355 3.462 . . . . 0.0 118.897 178.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -69.95 -13.08 62.07 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 128.913 2.885 . . . . 0.0 116.187 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . 0.261 48.1 p90 -131.22 150.33 52.19 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 174.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 79.97 30.88 0.24 Allowed 'General case' 0 C--N 1.363 1.158 0 C-N-CA 127.855 2.462 . . . . 0.0 111.266 -172.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.21 22.57 12.19 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 126.152 1.781 . . . . 0.0 111.381 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -96.7 48.37 1.07 Allowed 'General case' 0 C--N 1.355 0.83 0 C-N-CA 128.523 2.729 . . . . 0.0 111.095 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -166.49 171.66 11.62 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 -175.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.8 mt -125.43 54.16 1.49 Allowed 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 174.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -165.46 173.8 10.65 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 -174.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.6 t -126.81 142.17 42.62 Favored Pre-proline 0 C--N 1.363 1.174 0 N-CA-C 104.517 -2.401 . . . . 0.0 104.517 172.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -79.11 142.11 16.89 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.742 2.295 . . . . 0.0 108.074 162.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.0 tp -132.95 146.21 32.96 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.794 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 174.12 179.67 44.89 Favored Glycine 0 CA--C 1.482 -2.023 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -132.82 154.16 50.58 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 123.696 1.712 . . . . 0.0 109.341 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -127.58 118.89 24.79 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 103.258 -2.867 . . . . 0.0 103.258 173.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 28.4 mt -133.53 145.7 33.22 Favored 'Isoleucine or valine' 0 C--N 1.348 0.539 0 O-C-N 120.971 -1.081 . . . . 0.0 110.463 -170.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.76 129.36 50.31 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 104.584 -2.376 . . . . 0.0 104.584 171.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.1 m -140.84 145.37 39.41 Favored Pre-proline 0 C--N 1.352 0.679 0 N-CA-C 104.435 -2.432 . . . . 0.0 104.435 172.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -73.6 140.14 29.24 Favored 'Trans proline' 0 C--N 1.363 1.32 0 C-N-CA 124.915 3.743 . . . . 0.0 112.04 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.381 1.5 t80 31.69 -1.78 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.061 2 C-N-CA 136.032 5.733 . . . . 0.0 123.523 -177.16 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -103.45 106.52 17.05 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 129.412 3.085 . . . . 0.0 111.615 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -87.81 48.2 1.61 Allowed 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.358 2.263 . . . . 0.0 111.386 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 85.8 mmt-85 -102.09 -49.46 3.92 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 128.863 2.865 . . . . 0.0 112.916 -173.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.411 HG13 ' H ' ' A' ' 103' ' ' ASP . 0.8 OUTLIER 8.7 -82.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.377 1.799 1 C-N-CA 132.312 4.245 . . . . 0.0 120.856 167.998 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.411 ' H ' HG13 ' A' ' 102' ' ' ILE . 56.1 t0 -122.94 111.61 16.83 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 127.339 2.256 . . . . 0.0 105.858 170.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -175.27 43.4 0.01 OUTLIER 'General case' 0 C--N 1.365 1.24 0 C-N-CA 126.518 1.927 . . . . 0.0 107.698 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 81.55 56.61 0.02 OUTLIER 'General case' 0 C--N 1.372 1.555 0 C-N-CA 128.496 2.719 . . . . 0.0 108.395 -170.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.09 158.51 36.82 Favored 'General case' 0 C--N 1.364 1.232 0 CA-C-O 124.527 2.108 . . . . 0.0 111.031 -171.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -123.9 129.98 51.85 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 101.555 -3.498 . . . . 0.0 101.555 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.5 p -131.32 143.71 39.82 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 CA-C-O 122.599 1.19 . . . . 0.0 109.357 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.05 105.65 19.02 Favored 'Isoleucine or valine' 0 C--N 1.369 1.432 0 N-CA-C 101.118 -3.66 . . . . 0.0 101.118 166.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -99.55 90.45 4.51 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 128.582 2.753 . . . . 0.0 105.947 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 60.51 33.08 20.58 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.84 8.47 61.92 Favored Glycine 0 C--N 1.364 2.119 0 C-N-CA 126.042 1.782 . . . . 0.0 115.535 -174.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -108.19 120.05 41.25 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 125.83 1.652 . . . . 0.0 109.431 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.4 pt -97.55 113.81 33.03 Favored 'Isoleucine or valine' 0 C--N 1.365 1.267 0 C-N-CA 125.624 1.57 . . . . 0.0 114.217 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 26.7 m -131.18 149.5 33.43 Favored 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 126.044 1.738 . . . . 0.0 110.095 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 t -121.68 139.91 52.96 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 127.297 2.239 . . . . 0.0 106.95 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.5 153.53 11.18 Favored 'General case' 0 C--N 1.362 1.128 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -173.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.2 mt -114.49 121.43 66.58 Favored 'Isoleucine or valine' 0 C--N 1.377 1.762 0 C-N-CA 125.803 1.641 . . . . 0.0 106.691 174.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -136.88 178.74 18.66 Favored Glycine 0 C--N 1.363 2.081 0 O-C-N 120.617 -1.302 . . . . 0.0 112.228 -176.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -123.91 97.21 41.47 Favored Pre-proline 0 C--N 1.361 1.068 0 C-N-CA 125.818 1.647 . . . . 0.0 108.339 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -88.05 155.68 7.09 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 124.271 3.314 . . . . 0.0 112.927 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 17.4 t -127.7 129.61 70.14 Favored 'Isoleucine or valine' 0 C--N 1.361 1.069 0 C-N-CA 126.286 1.835 . . . . 0.0 111.049 -176.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -101.68 134.55 44.65 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.643 2.377 . . . . 0.0 108.896 172.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.52 -28.49 17.55 Favored 'General case' 0 C--N 1.361 1.083 0 O-C-N 120.675 -1.266 . . . . 0.0 112.617 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 94.2 p 64.43 36.49 8.86 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 120.255 3.428 . . . . 0.0 120.255 172.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -177.16 -95.68 0.1 OUTLIER Glycine 0 CA--C 1.484 -1.876 0 O-C-N 118.519 -2.613 . . . . 0.0 112.608 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 71.1 mt -83.74 59.6 5.27 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.542 1.537 . . . . 0.0 112.162 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.464 ' HG2' ' H ' ' A' ' 130' ' ' ILE . 24.3 tt0 144.55 125.78 0.0 OUTLIER 'General case' 0 C--N 1.358 0.969 0 C-N-CA 131.277 3.831 . . . . 0.0 106.273 -176.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -106.58 29.44 6.92 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 124.912 1.285 . . . . 0.0 112.436 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.464 ' H ' ' HG2' ' A' ' 128' ' ' GLN . 88.7 mt -101.31 127.18 54.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 120.565 -1.335 . . . . 0.0 108.935 176.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.32 121.56 41.25 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 127.874 2.47 . . . . 0.0 106.771 174.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 81.6 ttt180 -124.38 138.62 54.35 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 125.504 1.522 . . . . 0.0 111.248 -173.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.19 133.38 60.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 169.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -128.13 107.84 10.14 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 101.125 -3.657 . . . . 0.0 101.125 172.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -147.2 161.29 28.45 Favored Glycine 0 C--N 1.361 1.924 0 CA-C-O 121.639 0.577 . . . . 0.0 112.337 -173.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -154.28 157.17 38.29 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 124.18 0.992 . . . . 0.0 109.298 175.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -129.07 142.08 51.01 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.719 2.408 . . . . 0.0 107.952 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -153.78 163.47 39.97 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -108.85 41.75 2.14 Favored Glycine 0 C--N 1.362 2.026 0 C-N-CA 125.096 1.331 . . . . 0.0 112.996 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -118.81 33.02 5.83 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 125.15 1.38 . . . . 0.0 111.9 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -126.03 44.81 2.76 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 123.65 1.69 . . . . 0.0 106.613 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 27.2 m -101.6 18.39 3.53 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 C-N-CA 127.288 2.235 . . . . 0.0 112.647 -176.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.494 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 178.364 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.437 -1.104 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -80.79 62.06 4.68 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 126.747 2.019 . . . . 0.0 114.699 -177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -102.63 87.59 3.02 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 126.755 2.022 . . . . 0.0 106.846 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -81.01 13.77 2.57 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 117.209 2.299 . . . . 0.0 117.209 -173.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.463 ' CZ ' ' CD2' ' A' ' 71' ' ' HIS . 20.7 t80 -165.03 172.98 12.03 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 104.098 -2.556 . . . . 0.0 104.098 176.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -78.02 -21.59 50.55 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 128.714 2.806 . . . . 0.0 114.698 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -122.87 143.57 49.78 Favored 'General case' 0 C--N 1.367 1.338 0 O-C-N 120.16 -1.588 . . . . 0.0 112.06 177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.0 t -97.86 116.17 39.76 Favored 'Isoleucine or valine' 0 C--N 1.37 1.468 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.0 mm -101.59 153.07 5.12 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 C-N-CA 127.279 2.231 . . . . 0.0 110.916 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.0 m -113.65 114.91 27.07 Favored 'General case' 0 C--N 1.375 1.676 0 O-C-N 121.236 -0.915 . . . . 0.0 108.732 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.458 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 97.6 m-85 -105.74 123.62 48.23 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 123.742 0.817 . . . . 0.0 110.118 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -131.01 146.36 52.36 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.022 1.729 . . . . 0.0 109.746 -176.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.4 p -117.43 168.77 10.07 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.943 1.697 . . . . 0.0 112.044 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -118.96 123.54 44.82 Favored 'General case' 0 C--N 1.359 0.979 0 N-CA-C 104.417 -2.438 . . . . 0.0 104.417 173.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.3 t -110.1 135.13 50.06 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 C-N-CA 125.695 1.598 . . . . 0.0 108.768 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -111.92 144.89 40.5 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.296 1.838 . . . . 0.0 111.475 -178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.492 ' HG2' ' HZ2' ' A' ' 61' ' ' LYS . 13.7 mm100 -100.59 15.5 27.87 Favored 'General case' 0 C--N 1.378 1.812 0 C-N-CA 125.914 1.686 . . . . 0.0 110.832 173.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . 0.345 86.0 p 107.06 -146.2 0.0 OUTLIER 'General case' 0 C--N 1.353 0.74 1 C-N-CA 131.777 4.031 . . . . 0.0 111.3 179.186 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.97 51.4 1.61 Allowed 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.157 1.383 . . . . 0.0 108.404 -179.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.75 -152.88 19.76 Favored Glycine 0 C--N 1.359 1.824 0 O-C-N 121.457 -0.777 . . . . 0.0 111.418 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 60.48 -65.06 0.06 Allowed 'General case' 0 C--N 1.36 1.058 0 C-N-CA 129.37 3.068 . . . . 0.0 118.602 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -153.32 21.97 0.75 Allowed Glycine 0 C--N 1.351 1.403 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.05 99.59 0.18 Allowed Glycine 0 C--N 1.353 1.509 0 CA-C-O 122.376 0.987 . . . . 0.0 112.389 -178.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -129.92 64.89 1.51 Allowed 'General case' 0 C--N 1.351 0.638 0 N-CA-C 105.456 -2.054 . . . . 0.0 105.456 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 66.4 m -154.85 137.56 15.25 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 104.327 -2.472 . . . . 0.0 104.327 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -134.26 149.67 50.95 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 -174.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.492 ' HZ2' ' HG2' ' A' ' 51' ' ' GLN . 0.9 OUTLIER -145.6 143.73 30.05 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-O 121.984 0.897 . . . . 0.0 112.88 -175.468 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -103.21 122.03 43.91 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 129.083 2.953 . . . . 0.0 107.632 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.9 p -138.93 168.38 19.22 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 C-N-CA 125.335 1.454 . . . . 0.0 108.934 -173.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -89.56 146.09 24.82 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.004 1.722 . . . . 0.0 108.451 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -97.21 -56.56 2.5 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 124.564 1.146 . . . . 0.0 108.554 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.458 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 9.6 p90 -164.89 173.9 11.16 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.2 p -134.17 132.25 39.58 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 102.478 -3.156 . . . . 0.0 102.478 174.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.46 164.24 37.64 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -176.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.61 115.15 21.45 Favored 'General case' 0 C--N 1.366 1.299 0 O-C-N 120.28 -1.512 . . . . 0.0 107.782 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.71 145.15 4.42 Favored 'General case' 0 CA--C 1.497 -1.067 0 C-N-CA 119.169 -1.012 . . . . 0.0 108.309 -164.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.463 ' CD2' ' CZ ' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -111.26 112.16 23.74 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 120.613 1.551 . . . . 0.0 108.792 172.416 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.8 t -95.74 127.19 47.99 Favored 'Isoleucine or valine' 0 C--N 1.375 1.714 1 N-CA-C 98.893 -4.484 . . . . 0.0 98.893 169.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -132.73 128.4 20.84 Favored Pre-proline 0 C--N 1.353 0.758 0 CA-C-O 115.583 -2.151 . . . . 0.0 109.818 -173.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -71.47 140.06 35.74 Favored 'Trans proline' 0 C--N 1.363 1.331 0 C-N-CA 125.201 3.934 . . . . 0.0 112.845 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.438 10.9 tt 56.44 -48.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.2 0 C-N-CA 129.569 3.147 . . . . 0.0 118.223 178.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.3 t 75.02 26.09 1.29 Allowed 'General case' 0 C--N 1.373 1.624 0 C-N-CA 128.136 2.575 . . . . 0.0 113.167 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -75.65 78.9 2.63 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 128.231 2.612 . . . . 0.0 117.875 -172.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -100.25 -59.87 1.63 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 170.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -153.02 65.87 0.78 Allowed 'General case' 0 C--N 1.352 0.707 0 N-CA-C 103.442 -2.799 . . . . 0.0 103.442 175.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -96.78 -68.05 0.82 Allowed 'General case' 0 C--N 1.36 1.036 0 O-C-N 120.836 -1.165 . . . . 0.0 111.106 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -147.22 172.56 13.63 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 103.801 -2.666 . . . . 0.0 103.801 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -87.15 66.39 9.27 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 126.719 2.008 . . . . 0.0 108.725 172.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.94 13.27 27.46 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 129.278 3.031 . . . . 0.0 113.06 -174.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -62.91 69.34 0.02 OUTLIER 'General case' 0 C--N 1.358 0.95 0 C-N-CA 129.558 3.143 . . . . 0.0 116.797 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 89.18 29.84 0.02 OUTLIER 'General case' 0 C--N 1.363 1.194 0 C-N-CA 130.112 3.365 . . . . 0.0 110.342 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.9 tp -79.91 -26.77 40.07 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 127.051 2.14 . . . . 0.0 113.908 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -154.19 -172.45 4.22 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.9 m -94.92 109.86 46.53 Favored Pre-proline 0 C--N 1.355 0.836 0 C-N-CA 129.143 2.977 . . . . 0.0 105.271 169.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -70.88 128.6 15.21 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 CA-C-N 125.355 2.948 . . . . 0.0 115.95 -173.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.1 tp -146.38 39.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 103.309 -2.848 . . . . 0.0 103.309 173.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -122.89 141.19 13.73 Favored Glycine 0 C--N 1.36 1.906 0 CA-C-O 123.084 1.38 . . . . 0.0 111.191 -174.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -127.74 142.66 51.26 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 125.125 1.37 . . . . 0.0 109.189 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -138.1 123.89 19.93 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 103.524 -2.769 . . . . 0.0 103.524 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 133' ' ' ILE . 2.8 mp -126.25 148.38 30.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 C-N-CA 125.634 1.574 . . . . 0.0 113.483 -165.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.82 113.82 21.18 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 103.552 -2.759 . . . . 0.0 103.552 169.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.6 m -140.49 148.95 55.64 Favored Pre-proline 0 C--N 1.361 1.085 0 O-C-N 118.816 -2.427 . . . . 0.0 109.369 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -70.54 133.37 23.98 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 124.794 3.663 . . . . 0.0 111.676 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.27 2.7 t80 10.45 18.08 0.0 OUTLIER 'General case' 0 C--N 1.366 1.296 2 C-N-CA 137.324 6.25 . . . . 0.0 122.961 -176.09 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -95.47 137.7 34.17 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 128.585 2.754 . . . . 0.0 110.363 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -119.26 23.75 11.12 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 127.201 2.2 . . . . 0.0 111.495 -175.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -99.24 -43.91 6.44 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.674 ' CD1' ' H ' ' A' ' 102' ' ' ILE . 2.2 mp -12.51 -70.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.381 1.977 1 C-N-CA 136.058 5.743 . . . . 0.0 116.301 -179.483 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . 0.304 52.8 p30 -133.21 113.53 12.77 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 122.024 0.916 . . . . 0.0 108.851 167.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -169.04 43.57 0.03 OUTLIER 'General case' 0 C--N 1.355 0.839 0 N-CA-C 103.237 -2.875 . . . . 0.0 103.237 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? 84.1 82.81 0.03 OUTLIER 'General case' 0 C--N 1.371 1.543 0 C-N-CA 128.928 2.891 . . . . 0.0 109.663 -174.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 39.0 tpp -158.44 165.96 33.37 Favored 'General case' 0 C--N 1.36 1.057 0 O-C-N 120.825 -1.172 . . . . 0.0 108.262 -169.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -118.04 148.25 42.44 Favored 'General case' 0 C--N 1.366 1.32 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 167.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.5 p -138.94 150.13 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.1 tt -120.94 106.51 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.073 1 N-CA-C 100.152 -4.018 . . . . 0.0 100.152 164.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . 0.426 11.2 p90 -108.04 101.43 10.67 Favored 'General case' 0 C--N 1.373 1.627 0 C-N-CA 124.565 1.146 . . . . 0.0 110.829 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 60.51 32.1 20.41 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 126.25 1.82 . . . . 0.0 114.698 -176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.13 12.97 58.21 Favored Glycine 0 C--N 1.363 2.082 0 C-N-CA 125.547 1.546 . . . . 0.0 116.806 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -107.76 109.5 21.09 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 119.7 1.75 . . . . 0.0 109.361 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.8 mp -90.79 109.03 20.43 Favored 'Isoleucine or valine' 0 C--N 1.37 1.477 0 C-N-CA 125.394 1.478 . . . . 0.0 110.705 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.41 149.97 33.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 C-N-CA 125.33 1.452 . . . . 0.0 109.736 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -113.68 131.45 56.15 Favored 'General case' 0 C--N 1.363 1.186 0 N-CA-C 103.14 -2.911 . . . . 0.0 103.14 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -156.59 166.16 34.19 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -170.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 22.7 pt -133.06 162.8 39.4 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 C-N-CA 126.315 1.846 . . . . 0.0 109.101 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 179.36 -166.97 36.71 Favored Glycine 0 C--N 1.363 2.045 0 O-C-N 121.662 -0.649 . . . . 0.0 113.416 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -146.55 138.09 13.17 Favored Pre-proline 0 C--N 1.369 1.446 0 C-N-CA 126.276 1.83 . . . . 0.0 112.144 178.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -103.57 144.56 0.16 Allowed 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 124.781 3.654 . . . . 0.0 114.289 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 97.7 t -132.84 139.06 50.53 Favored 'Isoleucine or valine' 0 C--N 1.364 1.223 0 N-CA-C 105.834 -1.914 . . . . 0.0 105.834 174.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -94.41 98.97 11.25 Favored 'General case' 0 C--N 1.368 1.373 0 O-C-N 120.073 -1.642 . . . . 0.0 110.536 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.87 -27.81 16.2 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 126.57 1.948 . . . . 0.0 115.237 -176.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 36.9 m -106.95 122.19 45.94 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 119.452 -2.03 . . . . 0.0 112.598 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -116.26 1.44 20.76 Favored Glycine 0 C--N 1.365 2.165 0 C-N-CA 126.613 2.054 . . . . 0.0 112.189 172.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.24 -19.73 29.52 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 127.822 2.449 . . . . 0.0 111.769 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -164.32 153.81 13.88 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 100.553 -3.869 . . . . 0.0 100.553 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -78.94 59.71 2.7 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 126.73 2.012 . . . . 0.0 115.686 -171.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 47.6 mm -106.0 131.82 54.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 O-C-N 121.099 -1.001 . . . . 0.0 111.052 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.9 m -114.23 140.67 48.38 Favored 'General case' 0 C--N 1.364 1.205 0 CA-C-O 124.405 2.05 . . . . 0.0 107.565 171.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -101.43 120.19 39.91 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 129.862 3.265 . . . . 0.0 108.752 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 94' ' ' ILE . 3.4 mm -116.08 126.94 73.79 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 N-CA-C 105.709 -1.96 . . . . 0.0 105.709 -178.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -127.64 117.16 21.48 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 128.256 2.622 . . . . 0.0 107.1 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.66 124.39 1.99 Allowed Glycine 0 CA--C 1.478 -2.234 0 O-C-N 120.81 -1.181 . . . . 0.0 110.683 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -158.06 158.59 35.07 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 106.063 -1.829 . . . . 0.0 106.063 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -123.28 109.72 14.29 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -157.36 37.32 0.28 Allowed 'General case' 0 C--N 1.356 0.878 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 169.85 -175.96 43.81 Favored Glycine 0 C--N 1.351 1.393 0 N-CA-C 104.452 -3.459 . . . . 0.0 104.452 -174.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -156.82 -171.7 3.76 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.432 1.093 . . . . 0.0 108.071 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -149.2 -57.86 0.21 Allowed 'General case' 0 C--N 1.357 0.916 0 CA-C-O 121.781 0.801 . . . . 0.0 108.961 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.1 p -133.68 124.95 48.82 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 N-CA-C 105.912 -1.884 . . . . 0.0 105.912 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.507 0 N-CA-C 108.126 -1.99 . . . . 0.0 108.126 -177.196 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.441 -0.915 0 CA-C-O 121.483 0.658 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -133.92 62.67 1.65 Allowed 'General case' 0 C--N 1.354 0.802 0 C-N-CA 125.551 1.54 . . . . 0.0 108.31 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -126.42 121.45 32.5 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 125.172 1.389 . . . . 0.0 107.663 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -151.52 147.23 26.58 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.611 -1.305 . . . . 0.0 107.783 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -136.82 109.21 7.34 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.78 50.14 2.18 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 125.159 1.383 . . . . 0.0 107.614 -178.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -94.74 159.86 14.87 Favored 'General case' 0 C--N 1.364 1.216 0 C-N-CA 125.036 1.334 . . . . 0.0 108.667 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -95.86 116.63 38.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.977 0 CA-C-O 124.3 2.0 . . . . 0.0 110.655 -172.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.4 mm -103.42 158.06 5.02 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 C-N-CA 129.001 2.92 . . . . 0.0 110.845 -171.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.1 m -121.01 114.77 21.99 Favored 'General case' 0 C--N 1.373 1.593 0 O-C-N 120.469 -1.394 . . . . 0.0 108.667 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CG ' ' CZ ' ' A' ' 66' ' ' PHE . 42.3 m-85 -103.02 132.55 49.21 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 125.463 1.505 . . . . 0.0 110.501 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -129.9 148.55 51.78 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 125.568 1.547 . . . . 0.0 114.704 -172.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.9 p -123.76 156.05 36.75 Favored 'General case' 0 C--N 1.369 1.428 0 C-N-CA 127.791 2.436 . . . . 0.0 114.911 -176.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -117.89 129.64 55.76 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 126.844 2.058 . . . . 0.0 109.602 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.6 p -129.18 150.09 34.29 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 O-C-N 119.867 -1.771 . . . . 0.0 109.234 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.498 ' HG3' ' H ' ' A' ' 51' ' ' GLN . 7.6 pt-20 -126.82 -89.06 0.56 Allowed 'General case' 0 C--N 1.362 1.126 0 C-N-CA 126.948 2.099 . . . . 0.0 109.182 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.498 ' H ' ' HG3' ' A' ' 50' ' ' GLU 0.262 66.6 mt-30 64.83 -53.83 0.3 Allowed 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 119.481 3.141 . . . . 0.0 119.481 176.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . 0.276 83.2 p 100.95 -16.15 0.03 OUTLIER 'General case' 0 C--N 1.37 1.49 0 C-N-CA 131.269 3.828 . . . . 0.0 112.167 -177.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 61.33 28.32 17.81 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 130.47 3.508 . . . . 0.0 115.289 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 106.17 31.71 4.0 Favored Glycine 0 C--N 1.363 2.044 0 C-N-CA 126.743 2.116 . . . . 0.0 113.362 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 76.24 26.91 0.91 Allowed 'General case' 0 C--N 1.37 1.47 0 C-N-CA 127.908 2.483 . . . . 0.0 114.121 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.87 -36.72 2.14 Favored Glycine 0 C--N 1.363 2.034 0 C-N-CA 124.545 1.069 . . . . 0.0 115.367 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -133.27 75.4 0.42 Allowed Glycine 0 C--N 1.352 1.444 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -80.04 71.88 6.79 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 126.489 1.916 . . . . 0.0 112.981 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.6 t -154.23 -168.4 2.93 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 126.866 2.066 . . . . 0.0 105.925 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -127.24 152.24 47.66 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 126.17 1.788 . . . . 0.0 110.624 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -139.84 149.26 43.24 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 125.46 1.504 . . . . 0.0 110.153 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -114.28 127.16 55.73 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 128.367 2.667 . . . . 0.0 105.903 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.34 160.64 28.46 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -83.35 146.76 28.31 Favored 'General case' 0 C--N 1.364 1.224 0 C-N-CA 125.648 1.579 . . . . 0.0 111.342 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -97.39 -59.23 1.82 Allowed 'General case' 0 C--N 1.361 1.096 0 C-N-CA 125.394 1.478 . . . . 0.0 111.613 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.404 ' CZ ' ' CG ' ' A' ' 45' ' ' PHE . 12.6 p90 -162.54 173.58 13.8 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 -178.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.9 t -137.08 133.41 35.37 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 103.564 -2.754 . . . . 0.0 103.564 174.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.37 157.95 43.12 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.0 -1.062 . . . . 0.0 112.819 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.51 114.28 20.81 Favored 'General case' 0 C--N 1.369 1.423 0 O-C-N 120.271 -1.518 . . . . 0.0 109.263 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.74 170.33 10.97 Favored 'General case' 0 CA--C 1.496 -1.115 0 O-C-N 120.944 -1.097 . . . . 0.0 109.345 -164.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -122.87 108.87 13.47 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 174.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.4 t -110.77 96.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.371 1.503 0 N-CA-C 101.359 -3.571 . . . . 0.0 101.359 -177.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -112.76 139.5 22.89 Favored Pre-proline 0 C--N 1.357 0.919 0 O-C-N 119.008 -2.307 . . . . 0.0 116.525 -163.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -71.35 146.88 51.64 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 123.091 2.527 . . . . 0.0 113.624 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.328 69.6 mt 74.66 123.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 130.115 3.366 . . . . 0.0 116.939 171.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.12 57.7 3.66 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 131.094 3.757 . . . . 0.0 112.337 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -101.49 -60.04 1.6 Allowed 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.767 2.027 . . . . 0.0 110.245 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -77.23 -32.9 56.11 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 127.259 2.224 . . . . 0.0 114.902 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -107.75 106.74 17.19 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 125.853 1.661 . . . . 0.0 107.532 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -82.41 -44.3 16.25 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 124.935 1.294 . . . . 0.0 113.922 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.2 t80 73.85 -83.86 0.03 OUTLIER 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.516 2.326 . . . . 0.0 112.466 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -167.11 156.05 10.21 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 100.721 -3.807 . . . . 0.0 100.721 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.29 0.47 37.32 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 64.35 -81.36 0.03 OUTLIER 'General case' 0 C--N 1.364 1.209 0 C-N-CA 128.592 2.757 . . . . 0.0 115.25 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.72 -62.25 0.1 Allowed 'General case' 0 C--N 1.348 0.501 0 C-N-CA 125.901 1.68 . . . . 0.0 107.065 176.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mp -136.59 78.92 1.73 Allowed 'General case' 0 C--N 1.352 0.693 0 C-N-CA 125.936 1.694 . . . . 0.0 106.52 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -104.2 129.99 51.96 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.349 1.46 . . . . 0.0 111.763 -177.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.0 p -81.96 130.3 61.05 Favored Pre-proline 0 C--N 1.353 0.73 0 C-N-CA 128.338 2.655 . . . . 0.0 114.502 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -76.88 134.62 14.94 Favored 'Trans proline' 0 CA--C 1.548 1.209 0 C-N-CA 124.24 3.293 . . . . 0.0 111.465 171.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . 0.389 0.2 OUTLIER 132.29 104.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.027 1 C-N-CA 131.791 4.036 . . . . 0.0 109.481 -179.482 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -179.05 -168.33 37.98 Favored Glycine 0 C--N 1.365 2.149 0 O-C-N 119.986 -1.696 . . . . 0.0 114.262 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -111.56 132.34 54.61 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 126.55 1.94 . . . . 0.0 107.277 174.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.93 124.67 33.67 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 125.436 1.494 . . . . 0.0 109.371 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.1 mp -120.67 143.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 C-N-CA 125.2 1.4 . . . . 0.0 113.085 -171.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.251 0.0 OUTLIER -122.07 113.86 20.13 Favored 'General case' 0 C--N 1.366 1.305 0 N-CA-C 102.81 -3.033 . . . . 0.0 102.81 166.495 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.0 t -140.48 158.97 64.96 Favored Pre-proline 0 C--N 1.366 1.294 0 O-C-N 120.881 -1.137 . . . . 0.0 110.154 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -68.13 148.32 74.91 Favored 'Trans proline' 0 CA--C 1.557 1.641 0 C-N-CA 124.093 3.195 . . . . 0.0 111.781 163.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.253 2.4 t80 -8.48 27.88 0.0 OUTLIER 'General case' 0 C--N 1.365 1.256 2 C-N-CA 137.096 6.158 . . . . 0.0 124.535 -177.305 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -103.12 138.01 40.52 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 119.675 -1.89 . . . . 0.0 109.749 175.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -114.52 24.93 11.43 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 120.446 -1.409 . . . . 0.0 111.875 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -102.12 -39.88 7.07 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 116.862 2.171 . . . . 0.0 116.862 -173.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.71 ' CD1' ' H ' ' A' ' 102' ' ' ILE . 2.7 mp -13.13 -68.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.375 1.691 1 C-N-CA 135.462 5.505 . . . . 0.0 119.207 -179.313 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.93 110.92 15.42 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 103.826 -2.657 . . . . 0.0 103.826 171.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -174.14 39.96 0.01 OUTLIER 'General case' 0 C--N 1.352 0.691 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 87.0 tttt 84.46 73.92 0.02 OUTLIER 'General case' 0 C--N 1.369 1.45 0 C-N-CA 129.35 3.06 . . . . 0.0 107.5 -171.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.9 mmt -151.25 179.05 8.64 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 123.116 1.436 . . . . 0.0 109.754 -169.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -137.23 134.84 36.67 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 128.198 2.599 . . . . 0.0 104.65 174.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.7 t -128.39 141.2 47.16 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 O-C-N 119.68 -1.887 . . . . 0.0 106.364 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.5 mp -102.47 105.94 19.01 Favored 'Isoleucine or valine' 0 C--N 1.37 1.477 0 N-CA-C 100.838 -3.764 . . . . 0.0 100.838 170.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -102.38 91.58 4.32 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 129.94 3.296 . . . . 0.0 107.41 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 58.19 32.94 22.65 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 127.673 2.389 . . . . 0.0 116.293 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.08 3.79 65.27 Favored Glycine 0 C--N 1.363 2.033 0 C-N-CA 125.995 1.76 . . . . 0.0 116.219 -173.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -105.57 129.19 53.88 Favored 'General case' 0 C--N 1.361 1.088 0 CA-C-N 119.629 1.715 . . . . 0.0 107.407 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.8 tt -114.17 118.77 59.41 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 CA-C-O 122.127 0.965 . . . . 0.0 111.712 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.1 t -130.98 143.55 40.51 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 C-N-CA 125.53 1.532 . . . . 0.0 109.041 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 32.7 m -109.23 134.57 51.6 Favored 'General case' 0 C--N 1.378 1.818 0 C-N-CA 128.708 2.803 . . . . 0.0 107.668 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -167.14 172.6 9.85 Favored 'General case' 0 C--N 1.362 1.131 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -170.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.8 tp -124.92 156.72 33.61 Favored 'Isoleucine or valine' 0 C--N 1.366 1.302 0 C-N-CA 127.666 2.386 . . . . 0.0 110.186 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -170.15 -168.03 31.42 Favored Glycine 0 C--N 1.366 2.217 0 O-C-N 120.819 -1.176 . . . . 0.0 113.495 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -141.16 131.23 13.07 Favored Pre-proline 0 C--N 1.371 1.505 0 C-N-CA 127.803 2.441 . . . . 0.0 110.606 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -103.12 143.34 0.16 Allowed 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 124.545 3.496 . . . . 0.0 114.704 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.35 139.65 49.56 Favored 'Isoleucine or valine' 0 C--N 1.367 1.366 0 C-N-CA 125.169 1.388 . . . . 0.0 108.461 172.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -101.89 144.34 30.65 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 119.388 -2.07 . . . . 0.0 113.415 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.3 mp -93.71 -21.48 19.32 Favored 'General case' 0 C--N 1.367 1.349 0 O-C-N 121.229 -0.919 . . . . 0.0 109.182 171.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . 0.39 82.5 p 80.06 -58.75 0.34 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 118.641 2.83 . . . . 0.0 118.641 172.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -97.22 -166.68 32.71 Favored Glycine 0 C--N 1.36 1.861 0 N-CA-C 116.942 1.537 . . . . 0.0 116.942 -172.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.8 mt 59.11 -67.05 0.03 OUTLIER 'General case' 0 C--N 1.363 1.167 0 C-N-CA 130.638 3.575 . . . . 0.0 117.444 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -111.34 -16.28 13.4 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 125.793 1.637 . . . . 0.0 110.228 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 75.93 64.96 0.06 Allowed 'General case' 0 C--N 1.375 1.687 0 C-N-CA 128.2 2.6 . . . . 0.0 108.745 -176.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 13.7 pt -116.92 137.13 51.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 CA-C-O 122.742 1.258 . . . . 0.0 113.977 -170.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 26.8 m -115.23 141.02 48.59 Favored 'General case' 0 C--N 1.368 1.394 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 175.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -120.49 137.18 54.5 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-O 124.425 2.06 . . . . 0.0 106.744 176.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.3 mp -126.14 136.26 61.35 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.845 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 -175.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -128.33 129.45 46.31 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 172.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -128.83 161.38 22.44 Favored Glycine 0 CA--C 1.481 -2.044 0 N-CA-C 107.335 -2.306 . . . . 0.0 107.335 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -158.42 165.96 33.38 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-N 118.626 1.213 . . . . 0.0 110.873 -177.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -120.35 132.77 55.42 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 124.018 0.927 . . . . 0.0 109.887 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -151.38 175.51 12.18 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -95.34 146.71 18.33 Favored Glycine 0 C--N 1.361 1.93 0 C-N-CA 125.108 1.337 . . . . 0.0 113.559 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -164.19 176.99 8.71 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -153.82 171.68 18.55 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 105.176 -2.157 . . . . 0.0 105.176 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.7 p -99.11 53.48 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.962 0 C-N-CA 126.597 1.959 . . . . 0.0 111.228 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.463 0 N-CA-C 108.556 -1.817 . . . . 0.0 108.556 179.875 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.442 -0.832 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.3 t80 72.95 -54.25 0.7 Allowed 'General case' 0 C--N 1.36 1.031 0 C-N-CA 128.841 2.856 . . . . 0.0 115.053 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -97.38 149.82 21.69 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 126.666 1.986 . . . . 0.0 112.369 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -114.84 145.61 41.96 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 125.244 1.418 . . . . 0.0 108.79 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -106.1 -56.25 2.21 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 125.013 1.325 . . . . 0.0 112.321 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -173.51 -95.88 0.01 OUTLIER 'General case' 0 C--N 1.357 0.926 0 C-N-CA 125.454 1.502 . . . . 0.0 109.572 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -150.76 171.36 17.31 Favored 'General case' 0 C--N 1.36 1.06 0 O-C-N 120.034 -1.666 . . . . 0.0 114.464 -172.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -105.38 115.59 47.49 Favored 'Isoleucine or valine' 0 C--N 1.372 1.566 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 172.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -113.14 161.77 11.82 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 C-N-CA 125.66 1.584 . . . . 0.0 113.82 -167.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 m -105.6 113.42 26.97 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 127.623 2.369 . . . . 0.0 108.704 174.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.406 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 98.3 m-85 -111.36 125.04 53.43 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.398 0.999 . . . . 0.0 113.012 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -123.84 149.19 46.04 Favored 'General case' 0 C--N 1.371 1.51 0 C-N-CA 125.265 1.426 . . . . 0.0 112.189 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.2 p -115.19 165.25 13.14 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.909 2.484 . . . . 0.0 111.313 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -100.16 118.94 37.53 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 125.304 1.441 . . . . 0.0 110.041 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.0 m -127.16 150.16 32.83 Favored 'Isoleucine or valine' 0 C--N 1.362 1.114 0 C-N-CA 125.577 1.551 . . . . 0.0 109.419 -177.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -114.33 133.03 55.97 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 126.452 1.901 . . . . 0.0 108.346 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -129.46 -176.38 3.88 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 125.427 1.491 . . . . 0.0 110.138 -176.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . 0.256 9.4 t 89.38 -61.11 0.02 OUTLIER 'General case' 0 C--N 1.367 1.354 0 C-N-CA 126.668 1.987 . . . . 0.0 114.385 174.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -152.34 -168.66 3.12 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.16 -35.4 3.67 Favored Glycine 0 C--N 1.354 1.534 0 C-N-CA 126.446 1.974 . . . . 0.0 111.05 172.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -162.57 68.04 0.23 Allowed 'General case' 0 C--N 1.357 0.923 0 O-C-N 121.613 -0.933 . . . . 0.0 109.024 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 170.65 83.73 0.06 OUTLIER Glycine 0 C--N 1.357 1.733 0 O-C-N 119.849 -1.782 . . . . 0.0 111.188 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.97 74.3 1.23 Allowed Glycine 0 C--N 1.364 2.093 0 C-N-CA 125.148 1.356 . . . . 0.0 110.015 -177.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -117.74 144.58 45.16 Favored 'General case' 0 CA--C 1.506 -0.731 0 O-C-N 121.569 -0.96 . . . . 0.0 110.194 -172.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.3 m -141.02 138.83 33.95 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 104.259 -2.497 . . . . 0.0 104.259 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -113.66 149.1 35.15 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 126.452 1.901 . . . . 0.0 109.232 -176.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -152.55 161.06 43.1 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -97.76 113.03 24.71 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 129.479 3.111 . . . . 0.0 107.303 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.4 t -118.97 151.12 21.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 125.631 1.572 . . . . 0.0 107.255 -174.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -64.74 137.43 57.79 Favored 'General case' 0 C--N 1.367 1.334 0 C-N-CA 127.233 2.213 . . . . 0.0 114.816 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -101.16 -45.98 5.2 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 128.944 2.898 . . . . 0.0 107.827 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.406 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 1.6 p90 -171.06 177.4 3.7 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 103.725 -2.695 . . . . 0.0 103.725 -178.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.8 t -141.32 131.68 25.14 Favored 'General case' 0 CA--C 1.502 -0.874 1 N-CA-C 98.089 -4.782 . . . . 0.0 98.089 169.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.75 165.04 35.25 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -174.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.37 114.57 20.92 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 128.155 2.582 . . . . 0.0 109.395 174.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.15 160.39 43.41 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 -173.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -104.48 104.0 13.78 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 102.904 -2.999 . . . . 0.0 102.904 169.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.06 114.46 47.18 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 1 N-CA-C 97.044 -5.169 . . . . 0.0 97.044 179.749 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.99 140.39 23.98 Favored Pre-proline 0 C--N 1.368 1.401 0 CA-C-N 120.858 1.663 . . . . 0.0 110.76 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -72.05 133.64 21.83 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 124.271 3.314 . . . . 0.0 108.373 164.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.7 tp -69.06 139.28 20.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 -174.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 p -61.18 9.19 0.03 OUTLIER 'General case' 0 C--N 1.363 1.183 0 N-CA-C 120.77 3.618 . . . . 0.0 120.77 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.405 ' HG2' ' HB2' ' A' ' 87' ' ' GLN . 0.0 OUTLIER -118.39 10.49 12.74 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 125.959 1.704 . . . . 0.0 110.237 174.46 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -20.06 64.65 Favored 'General case' 0 C--N 1.367 1.361 0 N-CA-C 118.273 2.694 . . . . 0.0 118.273 -175.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -133.32 -34.95 1.04 Allowed 'General case' 0 C--N 1.352 0.705 0 C-N-CA 124.318 1.047 . . . . 0.0 112.538 -176.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -81.38 -45.41 16.16 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 125.921 1.688 . . . . 0.0 114.064 -177.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 75.47 31.12 0.78 Allowed 'General case' 0 C--N 1.365 1.246 0 C-N-CA 128.449 2.699 . . . . 0.0 114.665 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -110.08 151.73 26.84 Favored 'General case' 0 C--N 1.362 1.13 0 O-C-N 119.585 -1.947 . . . . 0.0 111.883 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.47 30.03 1.59 Allowed 'General case' 0 C--N 1.361 1.072 0 C-N-CA 127.463 2.305 . . . . 0.0 115.292 -175.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -70.49 50.57 0.12 Allowed 'General case' 0 C--N 1.36 1.047 0 C-N-CA 127.517 2.327 . . . . 0.0 116.391 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 79.34 -47.57 0.38 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 131.627 3.971 . . . . 0.0 115.506 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.4 mt -88.57 66.03 8.04 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 126.809 2.043 . . . . 0.0 115.823 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.405 ' HB2' ' HG2' ' A' ' 77' ' ' GLN . 5.5 pt20 -137.12 135.49 37.46 Favored 'General case' 0 C--N 1.364 1.232 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 177.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.0 p -132.57 163.23 52.15 Favored Pre-proline 0 C--N 1.358 0.971 1 N-CA-C 99.189 -4.374 . . . . 0.0 99.189 170.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -79.18 154.12 25.0 Favored 'Trans proline' 0 CA--C 1.546 1.077 1 CA-C-N 129.964 4.594 . . . . 0.0 113.603 -176.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.7 tt -36.36 115.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.372 1.569 1 C-N-CA 133.774 4.83 . . . . 0.0 116.864 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 155.74 -155.0 25.96 Favored Glycine 0 C--N 1.359 1.824 0 N-CA-C 108.47 -1.852 . . . . 0.0 108.47 -165.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -106.54 142.43 36.21 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-O 123.407 1.575 . . . . 0.0 110.362 174.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -116.62 119.49 35.68 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 104.089 -2.559 . . . . 0.0 104.089 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -150.23 130.66 4.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 O-C-N 119.902 -1.748 . . . . 0.0 111.941 -171.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.259 2.9 p90 -126.14 146.46 49.94 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.288 1.835 . . . . 0.0 107.035 169.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -137.87 153.98 74.16 Favored Pre-proline 0 C--N 1.353 0.76 0 C-N-CA 126.57 1.948 . . . . 0.0 106.387 -175.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -71.92 126.59 12.05 Favored 'Trans proline' 0 CA--C 1.558 1.698 0 C-N-CA 123.02 2.48 . . . . 0.0 108.823 161.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.296 0.5 OUTLIER 18.82 19.07 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.108 2 C-N-CA 134.827 5.251 . . . . 0.0 124.889 -176.148 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -103.74 128.99 51.07 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 126.982 2.113 . . . . 0.0 109.26 176.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -104.66 37.29 2.17 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 125.673 1.589 . . . . 0.0 108.536 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -102.14 -49.31 3.95 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 -168.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.472 ' CD1' ' H ' ' A' ' 103' ' ' ASP . 1.0 OUTLIER -13.7 -71.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.39 2.343 1 C-N-CA 132.447 4.299 . . . . 0.0 119.982 173.646 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.472 ' H ' ' CD1' ' A' ' 102' ' ' ILE 0.283 12.9 p-10 -133.31 113.24 12.37 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.783 1.233 . . . . 0.0 109.848 165.8 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -173.18 55.89 0.02 OUTLIER 'General case' 0 C--N 1.352 0.684 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 82.72 62.64 0.02 OUTLIER 'General case' 0 C--N 1.37 1.477 0 C-N-CA 129.653 3.181 . . . . 0.0 110.108 -173.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.2 mmt -137.13 162.44 33.4 Favored 'General case' 0 C--N 1.362 1.117 0 CA-C-O 123.02 1.39 . . . . 0.0 112.362 -171.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -130.08 123.52 30.62 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 101.77 -3.419 . . . . 0.0 101.77 171.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.9 m -128.02 152.57 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.751 0 CA-C-O 122.868 1.318 . . . . 0.0 108.801 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.7 mt -117.59 105.99 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 N-CA-C 101.095 -3.668 . . . . 0.0 101.095 168.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.86 124.79 53.1 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 103.597 -2.742 . . . . 0.0 103.597 174.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 48.48 31.96 3.11 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 128.659 2.784 . . . . 0.0 117.387 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.6 10.36 79.6 Favored Glycine 0 C--N 1.359 1.83 0 C-N-CA 126.195 1.855 . . . . 0.0 116.335 -175.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -110.26 126.65 54.4 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-N 120.005 1.903 . . . . 0.0 109.25 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.39 118.0 44.24 Favored 'Isoleucine or valine' 0 C--N 1.37 1.464 0 C-N-CA 124.724 1.21 . . . . 0.0 110.192 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.5 m -131.41 152.51 37.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 C-N-CA 125.752 1.621 . . . . 0.0 109.659 177.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.3 t -123.82 133.66 53.76 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 126.888 2.075 . . . . 0.0 105.59 176.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -169.45 160.14 9.02 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 123.929 0.892 . . . . 0.0 112.151 -171.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.39 132.54 60.42 Favored 'Isoleucine or valine' 0 C--N 1.361 1.09 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 177.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -130.4 -174.38 13.67 Favored Glycine 0 C--N 1.364 2.084 0 C-N-CA 124.413 1.006 . . . . 0.0 112.774 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -134.88 83.93 39.38 Favored Pre-proline 0 C--N 1.36 1.045 0 C-N-CA 126.861 2.064 . . . . 0.0 109.815 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -75.87 134.27 16.21 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 124.736 3.624 . . . . 0.0 115.087 -171.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.3 p -116.34 139.2 44.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.965 0 C-N-CA 124.775 1.23 . . . . 0.0 111.27 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -87.98 153.93 20.9 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 127.181 2.193 . . . . 0.0 111.937 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 31.6 tp -88.74 -37.93 15.1 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 83.6 p -169.07 -159.71 0.24 Allowed 'General case' 0 C--N 1.359 1.016 0 O-C-N 120.151 -1.593 . . . . 0.0 110.739 -174.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -127.64 34.9 2.91 Favored Glycine 0 C--N 1.359 1.821 0 C-N-CA 127.377 2.418 . . . . 0.0 108.747 165.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 60.6 tp -133.58 -55.99 0.89 Allowed 'General case' 0 C--N 1.359 1.004 0 C-N-CA 126.639 1.976 . . . . 0.0 110.14 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -113.15 94.74 5.03 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 127.784 2.434 . . . . 0.0 105.778 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -64.77 59.23 0.02 OUTLIER 'General case' 0 C--N 1.361 1.072 1 C-N-CA 132.006 4.122 . . . . 0.0 117.648 -173.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 75.9 mt -116.71 129.8 72.63 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 C-N-CA 127.573 2.349 . . . . 0.0 110.444 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.0 p -113.37 128.82 56.59 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 127.342 2.257 . . . . 0.0 107.843 170.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 53.6 ttt85 -124.5 137.79 54.39 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 120.382 -1.449 . . . . 0.0 111.566 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.2 124.33 60.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 175.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -121.55 126.15 48.47 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 104.124 -2.547 . . . . 0.0 104.124 173.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -142.54 149.17 21.02 Favored Glycine 0 C--N 1.352 1.452 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -174.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -126.04 135.97 52.41 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 126.32 1.848 . . . . 0.0 107.933 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -126.42 114.05 17.68 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.854 1.262 . . . . 0.0 108.142 -177.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -136.67 121.83 19.11 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.68 -116.79 8.13 Favored Glycine 0 C--N 1.364 2.125 0 C-N-CA 125.6 1.572 . . . . 0.0 116.117 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -124.23 42.31 3.28 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 125.088 1.355 . . . . 0.0 109.769 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.7 t80 81.13 51.84 0.02 OUTLIER 'General case' 0 C--N 1.366 1.315 0 C-N-CA 128.242 2.617 . . . . 0.0 111.358 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.65 97.57 5.84 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 C-N-CA 124.442 1.097 . . . . 0.0 108.321 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.361 1.97 0 C-N-CA 124.694 1.14 . . . . 0.0 111.945 -175.448 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.6 mmm . . . . . 0 N--CA 1.442 -0.858 0 CA-C-O 121.657 0.741 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -128.73 -138.21 0.23 Allowed 'General case' 0 C--N 1.354 0.765 0 C-N-CA 125.85 1.66 . . . . 0.0 107.138 -178.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -83.29 60.5 5.61 Favored 'General case' 0 C--N 1.363 1.159 0 O-C-N 119.503 -1.998 . . . . 0.0 114.533 178.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -112.69 98.26 7.11 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 103.216 -2.883 . . . . 0.0 103.216 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -91.54 161.79 14.8 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 -171.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -57.56 -27.53 62.75 Favored 'General case' 0 C--N 1.365 1.274 1 C-N-CA 132.298 4.239 . . . . 0.0 116.301 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.508 ' HB3' ' HE ' ' A' ' 111' ' ' ARG . 0.7 OUTLIER -118.93 132.09 56.07 Favored 'General case' 0 C--N 1.365 1.248 0 CA-C-O 123.025 1.393 . . . . 0.0 108.653 173.839 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.31 115.88 49.64 Favored 'Isoleucine or valine' 0 C--N 1.365 1.239 0 N-CA-C 103.742 -2.688 . . . . 0.0 103.742 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.7 mm -102.41 158.89 4.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 C-N-CA 125.776 1.631 . . . . 0.0 111.474 -167.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.72 109.46 16.12 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 125.423 1.489 . . . . 0.0 108.38 -178.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.432 ' CE2' HG23 ' A' ' 102' ' ' ILE . 40.5 m-85 -102.59 130.4 49.45 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 124.872 1.269 . . . . 0.0 112.844 -176.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -139.77 170.05 16.6 Favored 'General case' 0 C--N 1.374 1.667 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -173.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -141.73 165.86 26.33 Favored 'General case' 0 C--N 1.372 1.548 0 CA-C-O 122.337 1.065 . . . . 0.0 111.383 -176.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -122.18 127.24 49.8 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 127.124 2.17 . . . . 0.0 105.453 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.6 m -137.98 144.63 30.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 C-N-CA 125.826 1.65 . . . . 0.0 109.188 -177.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -117.61 22.65 12.24 Favored 'General case' 0 C--N 1.372 1.548 0 C-N-CA 126.423 1.889 . . . . 0.0 111.492 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -95.98 95.07 7.97 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 128.844 2.858 . . . . 0.0 109.482 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.0 t -103.76 0.52 30.54 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 128.036 2.534 . . . . 0.0 110.487 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 105.01 175.42 0.0 OUTLIER 'General case' 0 C--N 1.364 1.207 0 C-N-CA 131.423 3.889 . . . . 0.0 108.197 -173.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -93.14 65.88 1.88 Allowed Glycine 0 C--N 1.369 2.411 0 C-N-CA 126.676 2.084 . . . . 0.0 112.714 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -155.24 154.82 32.77 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 103.117 -2.92 . . . . 0.0 103.117 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.99 56.47 0.55 Allowed Glycine 0 C--N 1.36 1.878 0 N-CA-C 119.695 2.638 . . . . 0.0 119.695 -172.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -142.78 45.38 0.92 Allowed Glycine 0 C--N 1.348 1.225 0 N-CA-C 107.63 -2.188 . . . . 0.0 107.63 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -85.0 93.71 8.65 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 126.75 2.02 . . . . 0.0 113.768 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.0 t -129.03 -173.92 3.12 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 175.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -126.91 159.43 34.03 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 125.468 1.507 . . . . 0.0 111.82 -174.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -150.96 161.33 42.94 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 126.986 2.114 . . . . 0.0 107.361 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -104.39 133.76 48.74 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 128.904 2.882 . . . . 0.0 106.252 175.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.5 t -135.23 149.37 28.78 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 C-N-CA 127.472 2.309 . . . . 0.0 107.575 -173.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -95.75 136.2 36.47 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 126.279 1.832 . . . . 0.0 109.245 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -92.54 -55.89 3.23 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 124.987 1.315 . . . . 0.0 112.503 -172.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 6.0 p90 -168.88 176.88 5.25 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 -177.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -136.81 133.53 36.01 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 104.421 -2.437 . . . . 0.0 104.421 171.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.74 155.38 42.92 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.39 114.77 21.07 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 127.161 2.184 . . . . 0.0 105.216 173.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -166.69 155.0 10.14 Favored 'General case' 0 CA--C 1.476 -1.892 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 -163.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -97.29 108.44 21.16 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 104.162 -2.533 . . . . 0.0 104.162 171.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 t -123.37 98.42 5.55 Favored 'Isoleucine or valine' 0 C--N 1.364 1.211 1 N-CA-C 97.414 -5.032 . . . . 0.0 97.414 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -137.85 153.46 73.79 Favored Pre-proline 0 C--N 1.369 1.423 0 O-C-N 120.397 -1.44 . . . . 0.0 111.734 -167.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.19 140.94 38.43 Favored 'Trans proline' 0 C--N 1.367 1.534 1 C-N-CA 125.624 4.216 . . . . 0.0 113.908 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.31 57.8 mt 43.79 -79.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.265 1 C-N-CA 133.2 4.6 . . . . 0.0 115.988 179.53 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 75.1 m -166.14 39.81 0.06 Allowed 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 175.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 53.89 -61.23 0.01 OUTLIER 'General case' 0 C--N 1.371 1.517 0 N-CA-C 119.242 3.053 . . . . 0.0 119.242 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -95.35 -42.68 8.38 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 128.596 2.758 . . . . 0.0 108.829 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . 0.303 83.3 mt-10 90.46 135.55 0.03 OUTLIER 'General case' 0 C--N 1.361 1.079 0 C-N-CA 129.044 2.938 . . . . 0.0 115.885 176.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -88.96 -1.11 57.95 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.429 1.892 . . . . 0.0 113.784 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -169.35 168.95 9.34 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 104.419 -2.437 . . . . 0.0 104.419 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -78.9 73.77 5.44 Favored 'General case' 0 C--N 1.368 1.384 0 CA-C-O 122.988 1.375 . . . . 0.0 113.59 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.09 2.31 54.28 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 129.747 3.219 . . . . 0.0 116.193 -176.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . 0.262 34.1 mt-30 94.72 108.39 0.02 OUTLIER 'General case' 0 C--N 1.357 0.914 0 C-N-CA 129.059 2.944 . . . . 0.0 114.239 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.37 -3.09 9.97 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 125.683 1.593 . . . . 0.0 112.711 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.7 mt -111.85 -30.03 7.45 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -86.82 -80.92 0.23 Allowed 'General case' 0 C--N 1.363 1.167 0 C-N-CA 125.028 1.331 . . . . 0.0 112.862 -177.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 t -159.6 147.4 13.19 Favored Pre-proline 0 C--N 1.36 1.032 0 N-CA-C 105.658 -1.979 . . . . 0.0 105.658 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -79.24 123.55 5.62 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 123.247 2.632 . . . . 0.0 113.748 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.1 pt -98.11 1.14 10.53 Favored 'Isoleucine or valine' 0 C--N 1.361 1.069 0 C-N-CA 126.803 2.041 . . . . 0.0 113.671 -177.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -146.79 147.52 18.46 Favored Glycine 0 C--N 1.351 1.402 0 N-CA-C 108.531 -1.828 . . . . 0.0 108.531 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -127.66 143.53 51.15 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 125.799 1.639 . . . . 0.0 106.949 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -128.39 120.97 28.01 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 100.882 -3.748 . . . . 0.0 100.882 175.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -140.07 126.0 21.55 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 CA-C-O 122.87 1.319 . . . . 0.0 109.967 -166.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.295 0.1 OUTLIER -129.45 128.73 43.52 Favored 'General case' 0 C--N 1.369 1.414 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 171.61 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.4 t -139.75 157.16 70.4 Favored Pre-proline 0 C--N 1.347 0.49 0 C-N-CA 128.192 2.597 . . . . 0.0 106.715 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -71.71 144.89 45.12 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 123.814 3.009 . . . . 0.0 110.656 166.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.297 0.2 OUTLIER 6.01 22.99 0.0 OUTLIER 'General case' 0 C--N 1.359 0.98 2 C-N-CA 137.873 6.469 . . . . 0.0 125.376 -175.676 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -103.5 129.91 50.77 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 127.832 2.453 . . . . 0.0 109.414 175.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -105.61 15.5 26.87 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 127.279 2.232 . . . . 0.0 108.77 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.425 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 28.8 mmm180 -99.18 2.05 45.46 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 129.154 2.982 . . . . 0.0 118.113 -168.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.644 ' CD1' ' H ' ' A' ' 102' ' ' ILE . 0.0 OUTLIER -68.28 -73.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.139 0 C-N-CA 128.887 2.875 . . . . 0.0 114.704 173.397 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -120.96 124.51 45.08 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 126.512 1.925 . . . . 0.0 109.351 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -143.58 -71.33 0.3 Allowed 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 102.328 -3.212 . . . . 0.0 102.328 173.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -162.98 77.75 0.45 Allowed 'General case' 0 N--CA 1.448 -0.531 1 N-CA-C 98.983 -4.451 . . . . 0.0 98.983 173.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 82.5 mtp -149.16 -178.37 6.35 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 125.382 1.473 . . . . 0.0 108.595 -165.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -128.5 137.45 51.79 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 124.888 1.275 . . . . 0.0 108.411 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 47.6 t -129.54 146.55 34.0 Favored 'Isoleucine or valine' 0 C--N 1.358 0.965 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.5 pt -121.16 111.39 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 171.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.04 111.64 23.42 Favored 'General case' 0 C--N 1.373 1.587 0 C-N-CA 127.658 2.383 . . . . 0.0 104.8 173.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.508 ' HE ' ' HB3' ' A' ' 41' ' ' ASP . 98.2 mtt180 45.77 32.31 1.21 Allowed 'General case' 0 C--N 1.368 1.396 0 N-CA-C 118.549 2.796 . . . . 0.0 118.549 -177.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.54 5.41 65.05 Favored Glycine 0 C--N 1.361 1.958 0 C-N-CA 125.536 1.541 . . . . 0.0 115.744 -173.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -99.86 113.07 25.36 Favored 'General case' 0 C--N 1.365 1.246 0 CA-C-N 119.688 1.744 . . . . 0.0 109.797 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.494 ' H ' ' CD1' ' A' ' 114' ' ' ILE . 0.2 OUTLIER -79.2 114.17 19.58 Favored 'Isoleucine or valine' 0 C--N 1.365 1.272 0 C-N-CA 130.593 3.557 . . . . 0.0 115.022 -176.838 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 25.1 t -131.69 137.79 54.33 Favored 'Isoleucine or valine' 0 C--N 1.362 1.14 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.7 t -118.26 129.65 55.59 Favored 'General case' 0 C--N 1.366 1.324 0 N-CA-C 104.497 -2.408 . . . . 0.0 104.497 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -158.19 161.36 37.83 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 -170.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.11 136.36 40.88 Favored 'Isoleucine or valine' 0 C--N 1.369 1.444 0 C-N-CA 127.67 2.388 . . . . 0.0 110.074 174.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -162.82 -178.13 36.39 Favored Glycine 0 C--N 1.365 2.163 0 O-C-N 119.912 -1.742 . . . . 0.0 111.148 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -151.81 127.5 4.98 Favored Pre-proline 0 C--N 1.369 1.428 0 CA-C-N 118.481 1.14 . . . . 0.0 109.467 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -93.53 159.0 2.42 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.859 3.706 . . . . 0.0 114.148 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 15.0 m -130.2 134.36 62.75 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 C-N-CA 126.118 1.767 . . . . 0.0 107.219 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -102.11 142.75 32.88 Favored 'General case' 0 C--N 1.366 1.3 0 O-C-N 120.588 -1.32 . . . . 0.0 111.674 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -84.46 -30.05 25.58 Favored 'General case' 0 C--N 1.362 1.131 0 O-C-N 120.353 -1.467 . . . . 0.0 114.056 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.4 t 70.69 -66.21 0.3 Allowed 'General case' 0 C--N 1.357 0.914 0 C-N-CA 126.534 1.933 . . . . 0.0 115.996 175.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -94.85 55.3 1.9 Allowed Glycine 0 C--N 1.364 2.122 0 C-N-CA 126.151 1.834 . . . . 0.0 112.084 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.6 mt -162.01 169.9 20.22 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 128.058 2.543 . . . . 0.0 104.576 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -44.85 19.72 0.0 OUTLIER 'General case' 0 C--N 1.36 1.047 2 C-N-CA 134.019 4.928 . . . . 0.0 122.707 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 69.45 51.02 0.5 Allowed 'General case' 0 C--N 1.366 1.284 0 C-N-CA 128.647 2.779 . . . . 0.0 111.551 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 17.8 tt -112.55 129.16 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 O-C-N 120.337 -1.477 . . . . 0.0 111.064 -174.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.9 p -108.12 126.26 52.56 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 174.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -124.09 135.42 53.53 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 105.288 -2.116 . . . . 0.0 105.288 -175.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.2 tt -148.43 147.6 16.79 Favored 'Isoleucine or valine' 0 C--N 1.349 0.577 0 CA-C-O 122.39 1.09 . . . . 0.0 109.351 -173.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.95 139.26 51.97 Favored 'General case' 0 C--N 1.36 1.047 0 N-CA-C 103.536 -2.765 . . . . 0.0 103.536 170.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.56 161.22 28.35 Favored Glycine 0 C--N 1.358 1.773 0 N-CA-C 108.156 -1.978 . . . . 0.0 108.156 177.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -144.95 165.78 27.18 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.621 -1.517 . . . . 0.0 109.238 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -129.92 115.19 16.83 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 173.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -154.66 177.84 10.78 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 104.689 -2.338 . . . . 0.0 104.689 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -154.82 -159.73 9.45 Favored Glycine 0 C--N 1.355 1.621 0 N-CA-C 108.732 -1.747 . . . . 0.0 108.732 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -154.03 -176.33 5.8 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.866 1.266 . . . . 0.0 107.586 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -153.33 165.75 34.77 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.3 t -96.67 64.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.194 0 C-N-CA 125.198 1.399 . . . . 0.0 109.601 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.473 0 N-CA-C 109.184 -1.567 . . . . 0.0 109.184 -178.922 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.7 ptm . . . . . 0 N--CA 1.446 -0.631 0 CA-C-O 122.729 1.252 . . . . 0.0 108.42 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -162.22 179.92 7.54 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 103.798 -2.667 . . . . 0.0 103.798 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -82.24 64.29 6.84 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 126.08 1.752 . . . . 0.0 111.006 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -127.3 9.61 6.7 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 126.373 1.869 . . . . 0.0 111.97 -174.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.531 ' CD2' ' HB3' ' A' ' 71' ' ' HIS . 16.9 m-85 -96.07 45.41 1.07 Allowed 'General case' 0 C--N 1.361 1.085 0 O-C-N 119.494 -2.004 . . . . 0.0 111.744 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -134.66 44.49 2.65 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 127.429 2.291 . . . . 0.0 109.439 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -107.65 171.85 7.16 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 120.253 -1.53 . . . . 0.0 111.071 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.35 131.2 44.75 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 C-N-CA 126.195 1.798 . . . . 0.0 106.313 175.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.1 mp -126.03 151.82 32.67 Favored 'Isoleucine or valine' 0 C--N 1.363 1.177 0 C-N-CA 124.981 1.312 . . . . 0.0 108.272 -176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.51 112.51 19.04 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 123.543 0.737 . . . . 0.0 111.585 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.453 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 77.5 m-85 -101.23 128.81 47.19 Favored 'General case' 0 C--N 1.363 1.178 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -138.2 168.94 18.68 Favored 'General case' 0 C--N 1.373 1.605 0 C-N-CA 125.569 1.548 . . . . 0.0 113.261 173.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.3 t -138.67 167.41 22.03 Favored 'General case' 0 C--N 1.369 1.456 0 C-N-CA 125.724 1.61 . . . . 0.0 112.512 176.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -110.28 116.6 31.77 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 128.796 2.838 . . . . 0.0 104.459 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.5 t -118.49 144.01 27.83 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 O-C-N 120.707 -1.246 . . . . 0.0 109.945 -167.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -89.88 139.64 30.39 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 125.695 1.598 . . . . 0.0 112.434 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -144.15 155.11 43.79 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.767 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 m 172.64 116.68 0.02 OUTLIER 'General case' 0 C--N 1.356 0.854 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.39 51.37 0.86 Allowed 'General case' 0 C--N 1.362 1.124 0 C-N-CA 126.834 2.053 . . . . 0.0 114.996 -173.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.95 -81.82 0.1 OUTLIER Glycine 0 C--N 1.355 1.592 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -147.88 114.08 5.87 Favored 'General case' 0 C--N 1.351 0.636 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 164.73 -152.93 22.87 Favored Glycine 0 C--N 1.355 1.613 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.25 44.32 0.03 OUTLIER Glycine 0 C--N 1.357 1.728 0 C-N-CA 123.516 0.579 . . . . 0.0 114.269 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -103.72 1.86 32.32 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 125.579 1.552 . . . . 0.0 111.167 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m -100.5 105.42 16.86 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 129.716 3.207 . . . . 0.0 109.597 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -116.16 127.58 54.93 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -144.52 149.2 35.52 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 121.254 -0.904 . . . . 0.0 109.454 -176.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -87.78 131.82 34.37 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 128.509 2.724 . . . . 0.0 115.782 -174.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 m -143.25 156.19 17.05 Favored 'Isoleucine or valine' 0 C--N 1.364 1.21 0 C-N-CA 127.761 2.425 . . . . 0.0 106.181 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -85.15 146.2 27.24 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 126.204 1.802 . . . . 0.0 112.216 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -99.23 -56.34 2.44 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 125.695 1.598 . . . . 0.0 111.735 -175.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.453 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 15.7 p90 -166.91 171.83 10.88 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 -179.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.5 t -141.37 132.88 26.91 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 101.129 -3.656 . . . . 0.0 101.129 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.5 161.04 40.04 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -87.88 114.16 24.23 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 172.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.11 170.8 2.63 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 125.07 1.348 . . . . 0.0 107.463 -165.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.531 ' HB3' ' CD2' ' A' ' 39' ' ' PHE 0.279 44.7 t60 -141.04 130.74 24.16 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 123.82 1.771 . . . . 0.0 106.531 169.662 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.4 t -125.23 97.93 4.76 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 C-N-CA 128.625 2.77 . . . . 0.0 103.943 -166.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . 0.303 8.3 mt-30 -142.94 173.64 4.38 Favored Pre-proline 0 C--N 1.374 1.653 0 O-C-N 119.688 -1.882 . . . . 0.0 113.344 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -61.4 157.08 42.67 Favored 'Trans proline' 0 CA--C 1.561 1.826 1 C-N-CA 126.416 4.744 . . . . 0.0 118.308 178.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.258 14.0 tt -60.24 91.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.367 0 C-N-CA 129.838 3.255 . . . . 0.0 119.501 -177.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . 0.329 82.4 p 83.71 -55.15 0.14 Allowed 'General case' 0 C--N 1.365 1.259 0 O-C-N 118.485 -2.634 . . . . 0.0 113.335 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -107.16 137.66 44.8 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 126.875 2.07 . . . . 0.0 106.383 173.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -92.84 7.98 41.5 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 118.414 2.746 . . . . 0.0 118.414 -166.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . 0.41 6.1 pt-20 67.97 -38.64 0.37 Allowed 'General case' 0 C--N 1.362 1.15 0 C-N-CA 128.526 2.73 . . . . 0.0 115.921 -176.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -68.03 -17.73 64.49 Favored 'General case' 0 C--N 1.363 1.178 1 C-N-CA 134.486 5.114 . . . . 0.0 114.009 175.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -117.22 -76.43 0.57 Allowed 'General case' 0 C--N 1.358 0.943 0 C-N-CA 126.513 1.925 . . . . 0.0 107.237 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -113.72 109.82 19.19 Favored 'General case' 0 C--N 1.358 0.958 0 O-C-N 120.586 -1.321 . . . . 0.0 112.005 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.5 1.41 38.06 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 127.088 2.155 . . . . 0.0 111.194 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . 0.313 10.3 tt0 64.47 -94.51 0.04 OUTLIER 'General case' 0 C--N 1.357 0.932 0 C-N-CA 131.4 3.88 . . . . 0.0 115.278 -178.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -173.09 72.37 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 178.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.1 tm? 76.38 -52.6 0.6 Allowed 'General case' 0 C--N 1.369 1.444 0 C-N-CA 127.709 2.404 . . . . 0.0 113.66 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -91.15 101.92 14.65 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 127.782 2.433 . . . . 0.0 108.783 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.8 t -150.53 158.66 35.61 Favored Pre-proline 0 CA--C 1.507 -0.679 1 N-CA-C 100.116 -4.031 . . . . 0.0 100.116 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -70.91 124.4 10.58 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 CA-C-N 126.065 3.202 . . . . 0.0 112.014 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.9 mm -91.44 89.18 2.91 Favored 'Isoleucine or valine' 0 C--N 1.36 1.04 0 C-N-CA 124.024 0.93 . . . . 0.0 109.218 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -170.41 159.95 32.5 Favored Glycine 0 C--N 1.355 1.624 0 CA-C-O 122.344 0.969 . . . . 0.0 111.631 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -108.95 148.16 31.14 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 127.165 2.186 . . . . 0.0 112.454 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -134.9 119.96 18.69 Favored 'General case' 0 C--N 1.362 1.139 0 N-CA-C 104.324 -2.473 . . . . 0.0 104.324 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mm -141.0 140.53 32.55 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 CA-C-N 114.434 -1.257 . . . . 0.0 112.762 -164.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.369 0.7 OUTLIER -131.31 137.76 48.94 Favored 'General case' 0 C--N 1.374 1.666 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 161.474 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.1 t -140.84 160.24 59.27 Favored Pre-proline 0 C--N 1.357 0.905 0 N-CA-C 105.28 -2.119 . . . . 0.0 105.28 175.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -66.87 131.25 25.12 Favored 'Trans proline' 0 C--N 1.365 1.416 0 C-N-CA 124.603 3.535 . . . . 0.0 109.755 162.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.432 1.6 t80 33.55 137.44 0.0 OUTLIER 'General case' 0 C--N 1.36 1.043 2 C-N-CA 135.349 5.46 . . . . 0.0 121.82 -172.986 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . 0.28 9.6 p-10 -58.88 90.22 0.01 OUTLIER 'General case' 0 C--N 1.367 1.349 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 -176.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -101.55 -124.84 0.18 Allowed 'General case' 0 C--N 1.354 0.789 0 C-N-CA 127.185 2.194 . . . . 0.0 105.678 173.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 73.3 mmt-85 -101.6 -51.84 3.36 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 119.548 -1.97 . . . . 0.0 115.562 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.452 ' HA ' ' CE1' ' A' ' 45' ' ' PHE 0.329 3.7 mp 71.01 -83.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.38 1.925 0 CA-C-N 121.718 2.054 . . . . 0.0 109.733 -174.445 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -110.04 -173.1 2.18 Favored 'General case' 0 C--N 1.348 0.524 1 C-N-CA 133.003 4.521 . . . . 0.0 109.449 173.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.8 tttm 94.91 56.71 0.0 OUTLIER 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.514 2.325 . . . . 0.0 111.656 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 67.6 tttt 80.26 38.78 0.09 Allowed 'General case' 0 C--N 1.365 1.257 0 C-N-CA 127.593 2.357 . . . . 0.0 110.768 -174.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 15.1 mmt -111.12 146.77 36.24 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 122.439 1.114 . . . . 0.0 110.028 -176.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -112.04 106.56 15.25 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 101.838 -3.393 . . . . 0.0 101.838 173.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.48 144.91 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.309 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.474 HG23 ' H ' ' A' ' 112' ' ' GLY . 30.7 mt -114.29 106.61 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.621 0 O-C-N 124.869 1.356 . . . . 0.0 107.968 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.27 83.54 4.25 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 169.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 58.66 44.24 17.68 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.083 2.153 . . . . 0.0 116.32 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.474 ' H ' HG23 ' A' ' 109' ' ' ILE . . . 92.87 23.25 25.99 Favored Glycine 0 C--N 1.36 1.862 0 C-N-CA 125.529 1.538 . . . . 0.0 116.324 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -118.69 101.83 8.4 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 125.589 1.555 . . . . 0.0 107.941 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.472 HD12 ' H ' ' A' ' 114' ' ' ILE . 0.1 OUTLIER -85.93 106.51 15.52 Favored 'Isoleucine or valine' 0 C--N 1.377 1.769 0 C-N-CA 127.488 2.315 . . . . 0.0 113.0 -177.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.8 t -118.76 132.89 67.31 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 O-C-N 120.201 -1.562 . . . . 0.0 109.016 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.2 m -99.96 118.37 36.22 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 125.912 1.685 . . . . 0.0 109.121 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.57 159.45 43.42 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 -174.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.41 136.57 60.41 Favored 'Isoleucine or valine' 0 C--N 1.362 1.113 0 C-N-CA 129.458 3.103 . . . . 0.0 109.07 -177.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 166.15 -168.51 39.89 Favored Glycine 0 C--N 1.366 2.207 0 N-CA-C 105.374 -3.09 . . . . 0.0 105.374 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -153.52 140.08 12.73 Favored Pre-proline 0 C--N 1.372 1.557 0 CA-C-N 121.354 2.577 . . . . 0.0 112.119 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.424 ' HA ' ' HB ' ' A' ' 133' ' ' ILE . 35.1 Cg_endo -93.55 159.69 2.4 Favored 'Trans proline' 0 CA--C 1.549 1.268 1 C-N-CA 126.552 4.834 . . . . 0.0 114.782 176.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 17.0 m -127.88 149.16 32.58 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 128.65 2.78 . . . . 0.0 107.918 174.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.65 152.32 25.91 Favored 'General case' 0 C--N 1.361 1.1 0 O-C-N 119.07 -2.269 . . . . 0.0 112.165 176.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 43.3 tp -91.39 -36.76 13.63 Favored 'General case' 0 C--N 1.369 1.427 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 70.1 m -112.95 3.8 16.44 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 125.637 1.575 . . . . 0.0 111.007 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 86.13 -72.99 2.6 Favored Glycine 0 C--N 1.361 1.945 0 C-N-CA 125.488 1.518 . . . . 0.0 114.846 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.57 102.19 11.82 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 127.093 2.157 . . . . 0.0 111.797 -176.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . 0.317 4.0 mm-40 74.01 -173.3 0.13 Allowed 'General case' 0 C--N 1.367 1.346 0 C-N-CA 127.542 2.337 . . . . 0.0 114.248 -178.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . 0.319 24.8 tt0 77.37 -108.4 0.02 OUTLIER 'General case' 0 C--N 1.354 0.8 0 C-N-CA 127.422 2.289 . . . . 0.0 116.908 178.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 13.0 mt -125.12 143.02 40.18 Favored 'Isoleucine or valine' 0 C--N 1.36 1.052 0 CA-C-O 123.606 1.67 . . . . 0.0 113.266 -171.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 9.7 t -102.72 134.77 45.54 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 127.806 2.442 . . . . 0.0 109.202 166.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -109.41 119.0 38.11 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 129.121 2.968 . . . . 0.0 103.273 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.424 ' HB ' ' HA ' ' A' ' 121' ' ' PRO . 0.0 OUTLIER -128.41 125.45 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 -177.457 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -128.47 124.82 37.11 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 102.513 -3.143 . . . . 0.0 102.513 169.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.48 150.86 23.16 Favored Glycine 0 C--N 1.355 1.6 0 N-CA-C 108.035 -2.026 . . . . 0.0 108.035 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -126.88 161.19 28.85 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.152 0.981 . . . . 0.0 109.388 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -120.92 148.31 44.24 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 124.735 1.214 . . . . 0.0 108.114 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -81.07 60.84 4.4 Favored 'General case' 0 C--N 1.367 1.326 0 O-C-N 119.224 -2.172 . . . . 0.0 112.594 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -92.79 -69.73 1.13 Allowed Glycine 0 C--N 1.365 2.157 0 C-N-CA 127.565 2.507 . . . . 0.0 112.111 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -86.5 5.27 36.19 Favored 'General case' 0 C--N 1.367 1.364 0 CA-C-N 118.722 1.261 . . . . 0.0 114.143 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -78.19 56.05 1.61 Allowed 'General case' 0 C--N 1.36 1.036 0 C-N-CA 127.435 2.294 . . . . 0.0 114.05 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . 0.285 40.8 t 68.37 -56.33 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.245 0 C-N-CA 130.052 3.341 . . . . 0.0 115.56 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.538 0 C-N-CA 124.514 1.054 . . . . 0.0 110.518 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.1 tpt . . . . . 0 N--CA 1.437 -1.113 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -79.27 17.75 0.77 Allowed 'General case' 0 C--N 1.363 1.185 0 C-N-CA 126.559 1.944 . . . . 0.0 115.812 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -111.76 17.74 19.57 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 127.098 2.159 . . . . 0.0 110.198 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.347 10.8 pt-20 54.53 -41.56 0.02 OUTLIER 'General case' 0 C--N 1.367 1.347 1 C-N-CA 132.444 4.297 . . . . 0.0 120.075 174.968 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.503 ' HB3' ' CE1' ' A' ' 95' ' ' TYR . 21.5 m-85 -109.95 42.0 1.6 Allowed 'General case' 0 C--N 1.35 0.627 0 C-N-CA 128.566 2.746 . . . . 0.0 108.047 178.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -149.59 68.05 1.01 Allowed 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.575 -1.328 . . . . 0.0 107.818 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.497 ' HB2' ' CE1' ' A' ' 71' ' ' HIS . 27.4 m-20 -140.98 167.97 20.92 Favored 'General case' 0 CA--C 1.5 -0.95 0 N-CA-C 103.37 -2.826 . . . . 0.0 103.37 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.2 m -96.73 144.24 10.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 O-C-N 121.323 -0.86 . . . . 0.0 111.557 -174.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.1 pt -147.62 160.72 7.91 Favored 'Isoleucine or valine' 0 C--N 1.371 1.527 0 C-N-CA 127.071 2.148 . . . . 0.0 108.624 178.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.1 m -117.64 127.78 54.29 Favored 'General case' 0 C--N 1.385 2.12 0 C-N-CA 124.058 0.943 . . . . 0.0 111.522 -177.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.478 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 77.3 m-85 -106.4 130.0 54.29 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.766 1.226 . . . . 0.0 112.991 178.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -129.42 155.63 45.38 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 128.258 2.623 . . . . 0.0 110.547 -175.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.3 m -135.68 155.75 49.92 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 126.036 1.734 . . . . 0.0 108.416 173.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -114.92 133.92 55.59 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.619 2.368 . . . . 0.0 109.626 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.8 t -104.28 122.96 57.81 Favored 'Isoleucine or valine' 0 C--N 1.364 1.238 0 C-N-CA 126.821 2.048 . . . . 0.0 111.643 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -100.09 62.23 1.12 Allowed 'General case' 0 C--N 1.366 1.292 0 C-N-CA 129.086 2.954 . . . . 0.0 112.368 -178.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -91.11 85.27 5.85 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.701 -1.25 . . . . 0.0 112.317 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.1 p -156.43 -137.68 0.06 Allowed 'General case' 0 C--N 1.353 0.738 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -114.87 0.36 13.73 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.266 1.826 . . . . 0.0 109.312 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.79 -68.23 2.34 Favored Glycine 0 C--N 1.364 2.129 0 C-N-CA 127.589 2.518 . . . . 0.0 113.068 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -86.98 20.66 2.56 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 127.119 2.168 . . . . 0.0 113.416 -178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.62 142.46 4.81 Favored Glycine 0 C--N 1.354 1.542 0 N-CA-C 107.777 -2.129 . . . . 0.0 107.777 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.93 142.86 4.34 Favored Glycine 0 C--N 1.359 1.815 0 CA-C-N 117.613 0.707 . . . . 0.0 111.959 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -123.91 56.31 1.24 Allowed 'General case' 0 C--N 1.358 0.966 0 C-N-CA 124.95 1.3 . . . . 0.0 110.173 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.8 t -154.73 104.87 2.55 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.364 -1.46 . . . . 0.0 107.849 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -134.07 153.6 51.7 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 104.374 -2.454 . . . . 0.0 104.374 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -138.8 142.55 38.74 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -174.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -107.5 127.68 53.83 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 128.265 2.626 . . . . 0.0 108.0 175.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.48 164.16 31.8 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -89.54 146.07 24.84 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 124.361 1.065 . . . . 0.0 110.547 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -97.05 -59.81 1.71 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 123.775 0.83 . . . . 0.0 109.622 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 4.4 p90 -167.18 171.73 10.59 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 t -132.22 132.85 43.5 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 101.661 -3.459 . . . . 0.0 101.661 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.2 164.04 38.17 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -177.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -87.82 113.93 23.95 Favored 'General case' 0 C--N 1.372 1.566 0 N-CA-C 105.235 -2.135 . . . . 0.0 105.235 168.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -169.26 170.5 8.54 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 104.98 -2.23 . . . . 0.0 104.98 -170.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 41' ' ' ASP 0.267 0.1 OUTLIER -146.1 136.21 23.67 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 169.625 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.0 t -108.62 101.54 12.7 Favored 'Isoleucine or valine' 0 C--N 1.365 1.263 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 -176.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -112.85 132.55 22.25 Favored Pre-proline 0 C--N 1.36 1.039 0 O-C-N 118.136 -2.852 . . . . 0.0 112.342 -170.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.04 128.76 13.41 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 122.799 2.333 . . . . 0.0 111.936 172.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.9 mt -145.73 -61.99 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.84 -18.1 0.23 Allowed 'General case' 0 C--N 1.357 0.929 0 C-N-CA 129.852 3.261 . . . . 0.0 119.677 170.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.38 64.43 0.01 OUTLIER 'General case' 0 C--N 1.35 0.587 1 C-N-CA 132.243 4.217 . . . . 0.0 118.999 -174.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -96.33 -10.05 28.7 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 129.072 2.949 . . . . 0.0 110.276 176.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 82.42 108.58 0.06 Allowed 'General case' 0 C--N 1.368 1.412 0 C-N-CA 128.731 2.812 . . . . 0.0 115.712 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -95.89 7.43 46.38 Favored 'General case' 0 C--N 1.366 1.284 0 O-C-N 120.155 -1.591 . . . . 0.0 112.963 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 33.8 t80 124.53 -37.17 0.01 OUTLIER 'General case' 0 C--N 1.358 0.938 1 C-N-CA 132.956 4.503 . . . . 0.0 105.777 -175.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -99.13 125.15 44.6 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 127.188 2.195 . . . . 0.0 111.702 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.33 -11.84 42.2 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 125.916 1.686 . . . . 0.0 113.269 -176.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -91.78 141.75 28.33 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 126.066 1.746 . . . . 0.0 110.785 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -100.37 157.42 16.64 Favored 'General case' 0 C--N 1.359 0.981 0 O-C-N 120.863 -1.148 . . . . 0.0 109.732 176.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.4 mt -119.38 51.28 1.16 Allowed 'General case' 0 C--N 1.359 0.979 0 C-N-CA 125.64 1.576 . . . . 0.0 110.214 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 69.18 -52.17 0.59 Allowed 'General case' 0 C--N 1.358 0.956 0 N-CA-C 119.236 3.05 . . . . 0.0 119.236 176.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.2 m -78.73 131.71 66.81 Favored Pre-proline 0 C--N 1.363 1.184 0 C-N-CA 128.171 2.589 . . . . 0.0 111.764 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.97 155.17 53.14 Favored 'Trans proline' 0 C--N 1.366 1.48 0 C-N-CA 125.075 3.85 . . . . 0.0 114.886 -175.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 40.0 mm -114.13 -20.19 6.24 Favored 'Isoleucine or valine' 0 C--N 1.358 0.937 0 C-N-CA 124.601 1.16 . . . . 0.0 108.935 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.51 -176.94 38.08 Favored Glycine 0 CA--C 1.479 -2.212 0 O-C-N 118.837 -2.415 . . . . 0.0 111.42 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -123.09 126.86 47.87 Favored 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 125.101 1.36 . . . . 0.0 111.486 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -109.3 119.56 39.85 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 103.219 -2.882 . . . . 0.0 103.219 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.458 HG21 HG22 ' A' ' 102' ' ' ILE . 2.7 mp -129.47 148.88 33.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 O-C-N 119.895 -1.753 . . . . 0.0 112.176 -170.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CE1' ' HB3' ' A' ' 39' ' ' PHE 0.267 0.0 OUTLIER -129.39 139.55 51.64 Favored 'General case' 0 C--N 1.363 1.163 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 168.524 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 52.4 m -139.6 138.12 19.72 Favored Pre-proline 0 C--N 1.353 0.734 0 N-CA-C 101.392 -3.559 . . . . 0.0 101.392 170.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.54 125.04 12.26 Favored 'Trans proline' 0 C--N 1.365 1.404 0 CA-C-N 126.861 3.486 . . . . 0.0 108.202 169.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.462 ' CE1' ' HA ' ' A' ' 128' ' ' GLN 0.416 0.5 OUTLIER 34.99 17.58 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.583 2 C-N-CA 135.516 5.526 . . . . 0.0 122.006 -170.702 . . . . . . . . 5 4 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -103.54 128.58 50.74 Favored 'General case' 0 C--N 1.36 1.05 0 O-C-N 119.567 -1.958 . . . . 0.0 109.936 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -110.31 23.0 14.85 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 126.011 1.724 . . . . 0.0 113.327 -174.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.5 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 36.3 mmt180 -94.45 -50.08 5.38 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 116.691 2.108 . . . . 0.0 116.691 -171.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.458 HG22 HG21 ' A' ' 94' ' ' ILE . 4.1 mp -0.9 -71.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.379 1.862 1 C-N-CA 132.57 4.348 . . . . 0.0 121.372 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -124.59 112.1 16.43 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 126.317 1.847 . . . . 0.0 106.767 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 80.4 tttt 178.22 56.03 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.268 62.8 mttp 73.37 50.79 0.13 Allowed 'General case' 0 C--N 1.364 1.198 0 C-N-CA 128.635 2.774 . . . . 0.0 111.901 -175.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 23.5 ptp -160.81 -172.03 3.33 Favored 'General case' 0 C--N 1.361 1.102 0 O-C-N 121.989 -0.444 . . . . 0.0 111.913 -174.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -137.08 139.7 41.48 Favored 'General case' 0 C--N 1.362 1.138 0 CA-C-O 123.952 1.834 . . . . 0.0 115.684 -174.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.6 p -115.25 137.22 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-O 123.411 1.577 . . . . 0.0 109.082 176.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.1 tt -102.43 105.82 18.79 Favored 'Isoleucine or valine' 0 C--N 1.364 1.204 0 N-CA-C 101.036 -3.69 . . . . 0.0 101.036 163.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -96.82 106.78 19.15 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 129.555 3.142 . . . . 0.0 105.399 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? 45.21 32.99 1.05 Allowed 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 118.449 2.759 . . . . 0.0 118.449 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.24 4.71 64.29 Favored Glycine 0 C--N 1.367 2.281 0 C-N-CA 127.622 2.535 . . . . 0.0 116.54 -171.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -110.16 118.42 36.32 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 119.986 1.893 . . . . 0.0 109.139 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 10.7 tt -92.61 106.47 17.88 Favored 'Isoleucine or valine' 0 C--N 1.365 1.262 0 CA-C-O 123.709 1.718 . . . . 0.0 111.417 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.99 164.08 36.25 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 C-N-CA 129.379 3.072 . . . . 0.0 113.569 -173.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . 0.68 44.7 p 120.85 -118.77 0.0 OUTLIER 'General case' 0 C--N 1.376 1.752 1 N-CA-C 122.94 4.422 . . . . 0.0 122.94 161.701 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . 0.605 2.7 m-85 90.59 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.355 0.824 0 C-N-CA 129.378 3.071 . . . . 0.0 118.597 -175.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 10.9 mm -96.52 108.62 21.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 CA-C-N 122.606 2.457 . . . . 0.0 115.24 -175.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.62 174.85 21.6 Favored Glycine 0 C--N 1.368 2.354 0 C-N-CA 125.22 1.39 . . . . 0.0 114.079 173.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -135.01 134.54 21.8 Favored Pre-proline 0 C--N 1.371 1.521 0 C-N-CA 126.877 2.071 . . . . 0.0 112.62 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -91.4 141.43 2.77 Favored 'Trans proline' 0 C--N 1.367 1.548 0 C-N-CA 124.858 3.705 . . . . 0.0 116.835 -176.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.1 t -132.01 144.26 37.71 Favored 'Isoleucine or valine' 0 C--N 1.376 1.735 0 C-N-CA 127.811 2.444 . . . . 0.0 107.878 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.12 108.14 19.74 Favored 'General case' 0 C--N 1.366 1.304 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 174.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.24 -28.54 63.21 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 125.78 1.632 . . . . 0.0 115.178 -167.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.4 t -112.41 33.74 4.73 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 127.142 2.177 . . . . 0.0 109.025 174.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 61.23 -56.21 0.02 OUTLIER Glycine 0 C--N 1.366 2.218 0 N-CA-C 121.646 3.418 . . . . 0.0 121.646 173.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.6 mt -101.94 -68.42 0.82 Allowed 'General case' 0 C--N 1.356 0.89 0 C-N-CA 126.316 1.847 . . . . 0.0 112.981 -174.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.462 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -143.39 175.1 10.17 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 120.913 -1.117 . . . . 0.0 109.617 -178.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . 0.371 14.7 tp10 94.61 -77.87 0.0 OUTLIER 'General case' 0 C--N 1.359 1.018 0 C-N-CA 128.652 2.781 . . . . 0.0 115.877 178.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.4 mm -106.47 125.51 62.26 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 O-C-N 119.385 -2.072 . . . . 0.0 112.871 -177.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 78.7 m -106.82 135.9 47.58 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 125.309 1.443 . . . . 0.0 108.015 171.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -121.29 129.26 53.03 Favored 'General case' 0 C--N 1.371 1.537 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 174.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 45.6 mm -117.05 137.98 49.21 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -128.32 130.42 47.78 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 172.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.96 161.63 28.47 Favored Glycine 0 C--N 1.357 1.736 0 N-CA-C 107.639 -2.184 . . . . 0.0 107.639 174.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -144.97 165.13 29.03 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.545 1.673 . . . . 0.0 111.721 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -118.55 119.45 34.56 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 124.74 1.216 . . . . 0.0 110.639 -178.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 79.89 110.32 0.07 Allowed 'General case' 0 C--N 1.368 1.403 0 C-N-CA 128.061 2.544 . . . . 0.0 113.939 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 123.79 -45.25 1.2 Allowed Glycine 0 C--N 1.364 2.102 0 O-C-N 120.962 -1.086 . . . . 0.0 111.783 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -78.41 56.74 1.8 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 116.942 2.201 . . . . 0.0 116.942 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -140.81 47.88 1.73 Allowed 'General case' 0 C--N 1.351 0.668 0 C-N-CA 126.142 1.777 . . . . 0.0 107.323 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.2 m -79.66 61.75 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.861 0 C-N-CA 127.804 2.442 . . . . 0.0 114.318 -178.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 1.808 0 C-N-CA 126.223 1.868 . . . . 0.0 111.482 179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.0 ptt? . . . . . 0 N--CA 1.443 -0.807 0 CA-C-O 121.778 0.799 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -158.94 154.83 26.54 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' H ' ' HB1' ' A' ' 69' ' ' ALA . 65.8 mm-40 -134.03 -80.23 0.46 Allowed 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.244 1.418 . . . . 0.0 107.701 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -160.96 152.79 19.69 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . 0.332 9.0 t80 112.5 -174.13 0.0 OUTLIER 'General case' 0 C--N 1.366 1.314 0 C-N-CA 129.85 3.26 . . . . 0.0 114.165 172.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -74.48 -41.7 60.3 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 130.627 3.571 . . . . 0.0 118.398 -173.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -123.86 151.05 43.89 Favored 'General case' 0 C--N 1.361 1.084 0 O-C-N 120.802 -1.187 . . . . 0.0 113.262 -174.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.5 t -97.37 115.69 37.78 Favored 'Isoleucine or valine' 0 C--N 1.376 1.749 0 C-N-CA 127.357 2.263 . . . . 0.0 104.985 174.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.419 ' CG2' HH12 ' A' ' 101' ' ' ARG 0.254 24.3 mt -111.77 166.83 5.79 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 O-C-N 120.15 -1.594 . . . . 0.0 109.898 -171.359 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.5 m -122.08 106.9 11.6 Favored 'General case' 0 C--N 1.372 1.546 0 O-C-N 119.92 -1.738 . . . . 0.0 113.133 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -82.06 139.22 34.59 Favored 'General case' 0 C--N 1.37 1.469 0 O-C-N 120.602 -1.311 . . . . 0.0 113.571 165.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -131.68 148.83 52.62 Favored 'General case' 0 C--N 1.381 1.974 0 C-N-CA 127.456 2.303 . . . . 0.0 109.432 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.3 t -121.93 166.14 14.88 Favored 'General case' 0 C--N 1.363 1.174 0 O-C-N 119.802 -1.811 . . . . 0.0 110.39 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -102.84 117.78 35.38 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 126.592 1.957 . . . . 0.0 109.18 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -141.48 147.02 22.53 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 C-N-CA 124.186 0.994 . . . . 0.0 110.77 -173.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -82.79 148.43 27.81 Favored 'General case' 0 C--N 1.365 1.274 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -153.15 165.98 33.93 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 128.063 2.545 . . . . 0.0 108.202 -177.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.6 m -108.65 104.13 13.37 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.948 1.299 . . . . 0.0 110.798 176.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -84.33 -22.59 30.55 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 127.373 2.269 . . . . 0.0 110.85 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.13 161.58 29.43 Favored Glycine 0 C--N 1.356 1.69 0 C-N-CA 127.924 2.678 . . . . 0.0 108.113 174.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -74.1 71.83 1.65 Allowed 'General case' 0 C--N 1.359 0.984 0 C-N-CA 128.274 2.63 . . . . 0.0 115.185 -176.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.82 6.66 18.83 Favored Glycine 0 C--N 1.358 1.795 0 C-N-CA 126.061 1.791 . . . . 0.0 111.303 -174.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -115.44 82.99 0.32 Allowed Glycine 0 C--N 1.358 1.802 0 C-N-CA 127.542 2.496 . . . . 0.0 108.524 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -100.57 139.75 35.81 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -174.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.8 p -122.33 160.76 24.69 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 127.16 2.184 . . . . 0.0 108.199 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -113.22 127.38 56.15 Favored 'General case' 0 C--N 1.365 1.239 0 N-CA-C 103.119 -2.919 . . . . 0.0 103.119 170.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -122.09 156.04 34.43 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.832 -1.167 . . . . 0.0 110.393 -173.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -89.9 112.31 23.64 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 127.612 2.365 . . . . 0.0 109.31 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.4 t -124.06 147.65 28.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 C-N-CA 126.486 1.914 . . . . 0.0 107.533 -173.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -57.36 127.39 31.77 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 128.443 2.697 . . . . 0.0 113.031 177.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -99.3 -59.31 1.75 Allowed 'General case' 0 C--N 1.359 0.99 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.41 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 41.8 p90 -163.42 164.87 24.43 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 t -126.88 132.8 50.84 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.63 ' HB3' ' HE ' ' A' ' 101' ' ' ARG . . . -156.72 165.55 35.92 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.66 -176.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.414 ' HB1' ' H ' ' A' ' 37' ' ' GLU . . . -88.8 139.55 30.35 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 124.87 1.268 . . . . 0.0 111.93 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.413 ' HB1' ' CD ' ' A' ' 101' ' ' ARG . . . -172.93 170.73 4.44 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-O 122.503 1.144 . . . . 0.0 108.394 -172.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -103.06 107.17 17.87 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 103.885 -2.635 . . . . 0.0 103.885 166.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 t -116.18 106.44 20.36 Favored 'Isoleucine or valine' 0 C--N 1.365 1.264 1 N-CA-C 96.75 -5.278 . . . . 0.0 96.75 175.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -130.75 162.71 53.46 Favored Pre-proline 0 C--N 1.361 1.105 0 O-C-N 119.186 -2.197 . . . . 0.0 111.105 -171.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.2 144.28 46.09 Favored 'Trans proline' 0 C--N 1.358 1.053 0 C-N-CA 124.375 3.384 . . . . 0.0 111.931 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.1 tt -69.4 137.79 23.51 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 C-N-CA 127.562 2.345 . . . . 0.0 115.338 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 76.6 p -142.94 -119.03 0.1 Allowed 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.611 -1.306 . . . . 0.0 111.387 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -167.66 178.61 5.24 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.881 1.672 . . . . 0.0 108.74 -176.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.67 -20.23 61.28 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 127.674 2.389 . . . . 0.0 117.161 -177.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -96.4 117.66 31.31 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 125.949 1.7 . . . . 0.0 108.649 177.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -94.92 7.36 46.27 Favored 'General case' 0 C--N 1.365 1.255 0 O-C-N 120.319 -1.488 . . . . 0.0 112.184 -175.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -79.17 47.02 0.75 Allowed 'General case' 0 C--N 1.356 0.864 0 C-N-CA 128.129 2.572 . . . . 0.0 112.189 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.41 ' HZ3' ' HB2' ' A' ' 82' ' ' LYS . 10.3 mtmp? -118.21 26.51 9.58 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 127.232 2.213 . . . . 0.0 110.49 -176.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.08 -13.18 61.68 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 117.792 2.515 . . . . 0.0 117.792 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -145.43 30.59 1.11 Allowed 'General case' 0 C--N 1.355 0.842 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.02 171.36 7.59 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 126.939 2.095 . . . . 0.0 109.669 -174.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.0 mt -97.49 72.04 2.34 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 119.738 -1.851 . . . . 0.0 112.728 -175.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -94.94 97.85 10.28 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 125.309 1.443 . . . . 0.0 111.127 177.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.8 p -110.54 140.77 22.87 Favored Pre-proline 0 C--N 1.357 0.93 0 C-N-CA 125.787 1.635 . . . . 0.0 108.112 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -75.53 130.42 12.73 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 124.784 3.656 . . . . 0.0 114.612 -176.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.2 tp -116.93 1.37 8.04 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 C-N-CA 126.203 1.801 . . . . 0.0 109.303 177.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 179.91 -175.84 47.02 Favored Glycine 0 C--N 1.361 1.947 0 O-C-N 119.985 -1.697 . . . . 0.0 109.608 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -118.15 156.93 27.86 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 124.989 2.328 . . . . 0.0 107.59 174.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -125.26 120.92 32.57 Favored 'General case' 0 N--CA 1.428 -1.56 0 C-N-CA 130.717 3.607 . . . . 0.0 103.889 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.66 141.02 46.73 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 O-C-N 119.528 -1.982 . . . . 0.0 109.372 176.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -129.16 139.75 51.8 Favored 'General case' 0 C--N 1.363 1.184 0 N-CA-C 104.385 -2.45 . . . . 0.0 104.385 165.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.94 159.04 68.63 Favored Pre-proline 0 C--O 1.242 0.686 1 N-CA-C 97.857 -4.868 . . . . 0.0 97.857 171.759 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -67.24 124.84 12.64 Favored 'Trans proline' 0 C--N 1.362 1.268 0 C-N-CA 123.729 2.953 . . . . 0.0 109.179 172.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.449 ' H ' ' HA ' ' A' ' 130' ' ' ILE 0.329 0.1 OUTLIER 51.26 -166.99 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.508 1 C-N-CA 133.322 4.649 . . . . 0.0 116.804 -171.133 . . . . . . . . 5 4 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -80.96 90.65 5.96 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 129.37 3.068 . . . . 0.0 107.498 174.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -137.91 -67.7 0.47 Allowed 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 121.028 -1.045 . . . . 0.0 108.499 -172.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.63 ' HE ' ' HB3' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -97.78 -53.73 3.32 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -171.696 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -6.89 109.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.246 1 N-CA-C 124.154 4.872 . . . . 0.0 124.154 170.678 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -105.59 163.94 12.28 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 119.996 -1.69 . . . . 0.0 113.6 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -112.35 -106.69 0.37 Allowed 'General case' 0 C--N 1.364 1.227 0 C-N-CA 127.227 2.211 . . . . 0.0 110.845 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -79.44 86.91 5.09 Favored 'General case' 0 C--N 1.369 1.417 0 O-C-N 119.288 -2.133 . . . . 0.0 109.357 176.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.45 -169.09 1.5 Allowed 'General case' 0 C--N 1.356 0.852 0 CA-C-N 113.868 -1.515 . . . . 0.0 106.954 -162.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -139.92 164.41 30.06 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 123.107 1.432 . . . . 0.0 109.567 173.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.0 p -137.87 141.31 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.222 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.1 mm -109.4 105.4 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 N-CA-C 102.151 -3.277 . . . . 0.0 102.151 170.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -96.35 102.57 14.37 Favored 'General case' 0 N--CA 1.434 -1.273 0 C-N-CA 129.025 2.93 . . . . 0.0 108.464 175.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 52.47 32.84 12.06 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.942 2.497 . . . . 0.0 117.262 177.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.04 -1.04 69.9 Favored Glycine 0 C--N 1.362 2.01 0 C-N-CA 126.812 2.149 . . . . 0.0 116.652 -170.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -92.25 125.1 36.77 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 120.062 1.931 . . . . 0.0 111.662 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 21.0 pt -80.51 106.72 12.03 Favored 'Isoleucine or valine' 0 C--N 1.367 1.331 0 C-N-CA 128.676 2.79 . . . . 0.0 112.175 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 43.3 t -128.08 102.42 8.55 Favored 'Isoleucine or valine' 0 C--N 1.36 1.035 0 C-N-CA 125.371 1.469 . . . . 0.0 108.666 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 45.1 m -94.52 128.43 41.11 Favored 'General case' 0 C--N 1.379 1.855 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 173.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -141.56 158.98 43.15 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -176.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 6.1 pt -124.62 122.69 64.35 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 CA-C-N 114.366 -1.288 . . . . 0.0 107.722 173.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -170.93 -166.86 30.44 Favored Glycine 0 C--N 1.362 1.973 0 N-CA-C 110.174 -1.171 . . . . 0.0 110.174 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -154.79 146.23 16.78 Favored Pre-proline 0 C--N 1.363 1.166 0 C-N-CA 125.579 1.551 . . . . 0.0 108.673 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -90.03 158.41 4.87 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 124.148 3.232 . . . . 0.0 113.826 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.4 p -132.23 136.89 55.69 Favored 'Isoleucine or valine' 0 C--N 1.363 1.17 0 C-N-CA 125.91 1.684 . . . . 0.0 109.232 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -101.34 149.29 24.19 Favored 'General case' 0 C--N 1.364 1.216 0 C-N-CA 125.706 1.602 . . . . 0.0 112.156 177.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 28.0 mt -84.33 -2.99 57.97 Favored 'General case' 0 C--N 1.365 1.241 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . 0.394 91.6 p 114.4 -123.24 0.0 OUTLIER 'General case' 0 C--N 1.359 0.997 0 C-N-CA 131.535 3.934 . . . . 0.0 111.353 176.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -124.69 164.33 18.22 Favored Glycine 0 C--N 1.353 1.495 0 N-CA-C 104.375 -3.49 . . . . 0.0 104.375 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 44.2 tp 80.02 -53.75 0.38 Allowed 'General case' 0 C--N 1.362 1.13 0 C-N-CA 126.606 1.962 . . . . 0.0 111.019 -175.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -85.52 91.87 8.36 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 127.638 2.375 . . . . 0.0 108.052 172.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -78.39 66.13 3.87 Favored 'General case' 0 C--N 1.357 0.93 0 O-C-N 120.07 -1.644 . . . . 0.0 112.442 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.449 ' HA ' ' H ' ' A' ' 98' ' ' TYR . 20.4 tt -150.39 119.06 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-O 123.048 1.404 . . . . 0.0 112.208 -178.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.286 67.9 p -99.37 141.88 31.58 Favored 'General case' 0 C--N 1.368 1.412 0 CA-C-O 123.753 1.739 . . . . 0.0 109.053 161.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -120.63 137.59 54.36 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 111.177 -2.738 . . . . 0.0 105.017 171.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.81 144.29 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-O 122.995 1.379 . . . . 0.0 108.225 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.28 136.43 51.01 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 127.361 2.265 . . . . 0.0 105.41 173.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.28 161.17 28.31 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 106.525 -2.63 . . . . 0.0 106.525 172.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -126.25 158.07 36.66 Favored 'General case' 0 C--N 1.36 1.051 0 CA-C-N 119.417 1.609 . . . . 0.0 111.733 -175.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -119.24 113.83 21.47 Favored 'General case' 0 C--N 1.355 0.847 0 N-CA-C 104.97 -2.233 . . . . 0.0 104.97 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -163.52 -52.25 0.04 OUTLIER 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 -176.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -127.05 73.64 0.44 Allowed Glycine 0 C--N 1.357 1.713 0 C-N-CA 126.307 1.908 . . . . 0.0 110.074 177.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -150.8 -78.01 0.13 Allowed 'General case' 0 C--N 1.35 0.597 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 65.34 -82.05 0.03 OUTLIER 'General case' 0 C--N 1.363 1.156 0 C-N-CA 128.768 2.827 . . . . 0.0 115.825 176.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 29.9 m -111.23 -15.12 10.27 Favored 'Isoleucine or valine' 0 C--N 1.348 0.534 0 C-N-CA 126.137 1.775 . . . . 0.0 110.956 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 2.229 0 C-N-CA 125.174 1.369 . . . . 0.0 111.405 179.629 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 N--CA 1.441 -0.912 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -129.23 150.37 50.64 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 125.1 1.36 . . . . 0.0 109.497 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -93.43 60.17 3.07 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 125.278 1.431 . . . . 0.0 111.267 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.312 47.6 mm-40 80.97 -81.99 0.02 OUTLIER 'General case' 0 C--N 1.361 1.075 0 C-N-CA 129.51 3.124 . . . . 0.0 114.661 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -100.07 -71.52 0.7 Allowed 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.568 1.147 . . . . 0.0 110.983 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 58.49 40.87 23.48 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 128.982 2.913 . . . . 0.0 116.932 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -105.9 159.78 15.77 Favored 'General case' 0 C--N 1.366 1.285 0 O-C-N 120.627 -1.296 . . . . 0.0 111.026 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 m -97.18 119.77 45.66 Favored 'Isoleucine or valine' 0 C--N 1.366 1.302 0 CA-C-O 124.611 2.148 . . . . 0.0 112.367 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.28 163.47 20.62 Favored 'Isoleucine or valine' 0 C--N 1.36 1.043 0 C-N-CA 126.984 2.114 . . . . 0.0 112.465 -173.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.5 m -119.17 112.89 20.07 Favored 'General case' 0 C--N 1.379 1.851 0 C-N-CA 123.866 0.866 . . . . 0.0 110.527 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.473 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 86.8 m-85 -102.16 128.25 48.74 Favored 'General case' 0 C--N 1.36 1.05 0 O-C-N 121.501 -0.749 . . . . 0.0 111.192 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -121.69 164.88 16.63 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 127.329 2.252 . . . . 0.0 111.48 -176.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.8 t -147.68 164.31 33.94 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.009 1.723 . . . . 0.0 108.914 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -121.98 129.99 52.94 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 125.908 1.683 . . . . 0.0 110.231 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.2 t -107.37 136.61 41.97 Favored 'Isoleucine or valine' 0 C--N 1.361 1.104 0 C-N-CA 126.57 1.948 . . . . 0.0 108.628 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -153.82 178.1 10.28 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -107.87 1.36 22.68 Favored 'General case' 0 C--N 1.371 1.515 0 C-N-CA 127.883 2.473 . . . . 0.0 111.168 -176.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 p 120.92 -74.5 0.0 OUTLIER 'General case' 0 C--N 1.357 0.919 1 C-N-CA 132.845 4.458 . . . . 0.0 102.137 -169.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.4 m120 65.53 -128.92 0.29 Allowed 'General case' 0 C--N 1.362 1.144 0 C-N-CA 131.243 3.817 . . . . 0.0 115.704 173.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.14 -65.39 3.8 Favored Glycine 0 C--N 1.364 2.12 0 C-N-CA 125.999 1.762 . . . . 0.0 114.866 177.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -92.04 -10.55 38.73 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.274 2.23 . . . . 0.0 111.547 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -121.96 89.86 0.44 Allowed Glycine 0 C--N 1.353 1.518 0 N-CA-C 107.023 -2.431 . . . . 0.0 107.023 174.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.73 63.04 2.36 Favored Glycine 0 C--N 1.363 2.076 0 C-N-CA 125.183 1.373 . . . . 0.0 115.353 -177.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -87.09 -76.97 0.34 Allowed 'General case' 0 C--N 1.355 0.839 0 C-N-CA 126.381 1.872 . . . . 0.0 113.429 -177.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.3 t -154.48 139.85 17.69 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.279 -1.513 . . . . 0.0 109.591 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -134.8 161.41 35.28 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 127.147 2.179 . . . . 0.0 106.092 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -146.89 134.98 21.55 Favored 'General case' 0 C--N 1.366 1.3 0 CA-C-N 118.586 0.63 . . . . 0.0 112.457 177.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -98.83 125.03 44.1 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.591 2.356 . . . . 0.0 108.675 174.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 m -137.28 169.76 18.94 Favored 'Isoleucine or valine' 0 C--N 1.363 1.158 0 C-N-CA 125.343 1.457 . . . . 0.0 108.68 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -95.55 144.29 26.14 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 124.326 1.05 . . . . 0.0 109.6 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -91.18 -53.66 4.27 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 125.171 1.388 . . . . 0.0 110.424 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.473 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 3.2 p90 -167.94 172.88 8.59 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 105.998 -1.853 . . . . 0.0 105.998 -178.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.5 p -132.82 132.33 42.05 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 100.295 -3.965 . . . . 0.0 100.295 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.28 164.83 36.06 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 -174.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.94 114.42 21.21 Favored 'General case' 0 C--N 1.371 1.518 0 N-CA-C 106.344 -1.724 . . . . 0.0 106.344 167.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -166.57 142.09 4.49 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 121.29 -0.881 . . . . 0.0 110.346 -164.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -116.31 120.31 38.5 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.249 -1.532 . . . . 0.0 110.92 175.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.456 HG11 ' CD2' ' A' ' 92' ' ' TYR . 59.2 t -115.76 104.38 16.66 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 N-CA-C 102.686 -3.079 . . . . 0.0 102.686 173.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -119.5 152.19 52.64 Favored Pre-proline 0 C--N 1.366 1.31 0 CA-C-N 122.371 2.351 . . . . 0.0 112.695 -176.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.6 147.69 51.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.467 3.444 . . . . 0.0 115.302 -177.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -89.52 -7.66 10.82 Favored 'Isoleucine or valine' 0 C--N 1.367 1.348 0 C-N-CA 127.558 2.343 . . . . 0.0 112.635 -178.379 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.9 t -165.13 161.37 19.51 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 119.601 -1.937 . . . . 0.0 105.925 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -110.71 7.02 22.03 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 127.618 2.367 . . . . 0.0 111.883 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -45.73 -18.05 0.04 OUTLIER 'General case' 0 C--N 1.364 1.2 1 N-CA-C 123.215 4.524 . . . . 0.0 123.215 -172.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -99.09 95.04 6.84 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 121.198 1.817 . . . . 0.0 111.93 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -92.75 7.08 45.14 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.527 1.931 . . . . 0.0 114.133 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -129.77 71.61 1.45 Allowed 'General case' 0 C--N 1.353 0.719 0 C-N-CA 126.925 2.09 . . . . 0.0 106.498 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 93.28 104.78 0.02 OUTLIER 'General case' 0 C--N 1.366 1.318 0 C-N-CA 129.851 3.26 . . . . 0.0 106.812 -176.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.53 -46.54 57.42 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 118.753 2.871 . . . . 0.0 118.753 -172.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -168.36 107.04 0.49 Allowed 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.959 1.704 . . . . 0.0 107.421 176.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -150.35 156.41 41.46 Favored 'General case' 0 C--N 1.359 0.978 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.8 tp -57.52 41.27 0.0 OUTLIER 'General case' 0 C--N 1.373 1.606 1 C-N-CA 133.512 4.725 . . . . 0.0 118.284 -174.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -138.92 -36.19 0.55 Allowed 'General case' 0 N--CA 1.432 -1.331 0 C-N-CA 130.689 3.595 . . . . 0.0 107.605 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 51.7 m -159.23 107.35 1.53 Allowed Pre-proline 0 C--N 1.37 1.495 0 O-C-N 118.878 -2.389 . . . . 0.0 110.389 177.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -80.63 156.39 21.38 Favored 'Trans proline' 0 C--N 1.368 1.564 1 C-N-CA 127.077 5.184 . . . . 0.0 113.13 170.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 16.4 mt -86.93 -104.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.368 1.381 0 CA-C-N 121.296 1.862 . . . . 0.0 110.183 175.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -163.05 145.07 10.15 Favored Glycine 0 C--N 1.351 1.392 0 N-CA-C 104.974 -3.251 . . . . 0.0 104.974 175.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.456 ' CD2' HG11 ' A' ' 72' ' ' VAL . 17.2 m-85 -119.03 137.44 53.54 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -177.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -115.86 122.95 46.9 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.364 1.466 . . . . 0.0 107.675 174.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.428 HG13 ' H ' ' A' ' 133' ' ' ILE . 0.6 OUTLIER -115.08 143.57 24.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 O-C-N 119.992 -1.692 . . . . 0.0 111.221 -174.136 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.407 ' C ' ' HG1' ' A' ' 96' ' ' THR . 0.0 OUTLIER -125.41 115.41 20.24 Favored 'General case' 0 C--N 1.366 1.322 0 N-CA-C 101.461 -3.533 . . . . 0.0 101.461 171.316 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.407 ' HG1' ' C ' ' A' ' 95' ' ' TYR . 62.7 m -141.45 148.31 50.02 Favored Pre-proline 0 C--N 1.355 0.84 0 O-C-N 118.56 -2.588 . . . . 0.0 107.86 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.83 129.35 17.37 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 124.619 3.546 . . . . 0.0 111.344 171.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.383 1.6 t80 20.69 17.41 0.0 OUTLIER 'General case' 0 C--N 1.365 1.247 2 C-N-CA 136.04 5.736 . . . . 0.0 122.935 -172.843 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -100.69 134.68 43.29 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 126.422 1.889 . . . . 0.0 111.391 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.56 23.39 9.61 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.646 1.978 . . . . 0.0 108.501 177.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -97.19 -3.46 40.87 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.986 2.115 . . . . 0.0 114.554 -172.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.404 ' CG2' HG22 ' A' ' 72' ' ' VAL . 4.4 mp -58.68 -72.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 130.192 3.397 . . . . 0.0 114.539 -178.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -130.37 166.49 20.32 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 177.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.1 tptm 131.59 55.92 0.0 OUTLIER 'General case' 0 C--N 1.352 0.694 0 C-N-CA 130.946 3.698 . . . . 0.0 105.481 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.275 72.7 tttt 89.95 50.74 0.01 OUTLIER 'General case' 0 C--N 1.365 1.248 0 C-N-CA 128.541 2.736 . . . . 0.0 114.582 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.4 ptp -155.78 175.23 14.19 Favored 'General case' 0 C--N 1.373 1.587 0 O-C-N 120.643 -1.286 . . . . 0.0 113.997 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -104.76 123.28 47.38 Favored 'General case' 0 C--N 1.378 1.82 0 O-C-N 119.831 -1.793 . . . . 0.0 112.433 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.406 ' HB ' ' HB ' ' A' ' 115' ' ' VAL . 54.2 t -115.83 124.85 72.65 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 O-C-N 120.327 -1.483 . . . . 0.0 111.946 -172.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 35.1 mm -112.98 107.06 22.02 Favored 'Isoleucine or valine' 0 C--N 1.378 1.81 0 CA-C-O 122.087 0.946 . . . . 0.0 111.428 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -95.66 91.53 6.16 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 129.728 3.211 . . . . 0.0 109.28 171.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 48.06 36.08 5.97 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 128.761 2.824 . . . . 0.0 116.881 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.74 -1.66 71.84 Favored Glycine 0 C--N 1.359 1.831 0 C-N-CA 125.907 1.718 . . . . 0.0 117.001 -170.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.38 127.95 38.05 Favored 'General case' 0 C--N 1.367 1.333 0 CA-C-N 120.278 2.039 . . . . 0.0 110.276 177.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.0 mm -84.04 120.8 35.58 Favored 'Isoleucine or valine' 0 C--N 1.366 1.291 0 C-N-CA 126.578 1.951 . . . . 0.0 113.908 -175.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.406 ' HB ' ' HB ' ' A' ' 108' ' ' VAL . 59.9 t -115.77 128.32 73.06 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 N-CA-C 104.651 -2.351 . . . . 0.0 104.651 174.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.4 m -110.2 109.67 20.24 Favored 'General case' 0 C--N 1.371 1.537 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -168.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . 0.362 2.6 m-85 64.41 -67.56 0.11 Allowed 'General case' 0 C--N 1.363 1.172 1 N-CA-C 122.933 4.42 . . . . 0.0 122.933 162.739 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 23.7 pt -77.96 137.55 21.97 Favored 'Isoleucine or valine' 0 C--N 1.362 1.126 0 N-CA-C 119.388 3.107 . . . . 0.0 119.388 -170.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.97 151.59 7.13 Favored Glycine 0 C--N 1.36 1.909 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 170.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -114.56 139.5 24.07 Favored Pre-proline 0 C--N 1.366 1.283 0 CA-C-N 119.929 1.865 . . . . 0.0 111.983 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -88.17 144.24 5.92 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 125.101 3.867 . . . . 0.0 116.297 -176.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.0 t -132.49 135.84 57.07 Favored 'Isoleucine or valine' 0 C--N 1.37 1.481 0 C-N-CA 128.45 2.7 . . . . 0.0 109.458 174.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -100.22 99.32 9.99 Favored 'General case' 0 C--N 1.367 1.34 0 N-CA-C 104.549 -2.389 . . . . 0.0 104.549 171.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.5 tp -82.68 -11.94 57.98 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 126.113 1.765 . . . . 0.0 113.069 -174.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 50.4 m -96.65 156.56 16.29 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 127.729 2.411 . . . . 0.0 111.296 174.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -110.86 37.4 3.75 Favored Glycine 0 C--N 1.365 2.187 0 C-N-CA 125.144 1.354 . . . . 0.0 111.528 169.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 27.0 tp -166.72 175.45 7.86 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 128.379 2.671 . . . . 0.0 104.169 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.45 54.56 3.16 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 128.066 2.546 . . . . 0.0 113.805 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -107.44 -107.11 0.33 Allowed 'General case' 0 C--N 1.356 0.863 0 C-N-CA 127.615 2.366 . . . . 0.0 112.699 -177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.7 tp -97.99 131.01 45.89 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 C-N-CA 125.793 1.637 . . . . 0.0 113.552 -176.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.1 m -123.13 141.39 52.02 Favored 'General case' 0 C--N 1.365 1.247 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -124.91 138.48 54.24 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 126.358 1.863 . . . . 0.0 111.231 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.428 ' H ' HG13 ' A' ' 94' ' ' ILE 0.277 0.7 OUTLIER -126.87 135.33 63.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 O-C-N 119.423 -2.048 . . . . 0.0 105.903 174.992 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -129.31 145.12 51.43 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 120.609 -1.307 . . . . 0.0 114.115 -174.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.59 149.41 21.55 Favored Glycine 0 C--N 1.367 2.268 0 N-CA-C 107.783 -2.127 . . . . 0.0 107.783 165.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -149.28 152.6 36.18 Favored 'General case' 0 C--N 1.362 1.125 0 CA-C-N 120.074 1.937 . . . . 0.0 113.171 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -126.52 120.1 28.8 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 104.314 -2.476 . . . . 0.0 104.314 176.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -146.74 143.58 28.79 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -125.1 31.75 4.18 Favored Glycine 0 C--N 1.358 1.785 0 C-N-CA 124.514 1.054 . . . . 0.0 111.854 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -135.47 77.9 1.7 Allowed 'General case' 0 C--N 1.35 0.604 0 C-N-CA 124.984 1.314 . . . . 0.0 108.384 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -85.8 61.92 7.14 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 125.951 1.7 . . . . 0.0 112.589 -177.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.03 136.79 54.89 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 C-N-CA 125.727 1.611 . . . . 0.0 107.669 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.429 0 N-CA-C 106.851 -2.499 . . . . 0.0 106.851 -179.214 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.6 tpp . . . . . 0 N--CA 1.435 -1.201 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -73.56 50.26 0.32 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 128.477 2.711 . . . . 0.0 115.14 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -116.39 29.66 7.82 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.58 2.352 . . . . 0.0 110.052 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -89.51 75.82 7.51 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 125.406 1.483 . . . . 0.0 111.003 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -123.17 127.41 48.62 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 125.992 1.717 . . . . 0.0 108.429 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -148.79 42.79 0.97 Allowed 'General case' 0 C--N 1.349 0.55 0 CA-C-O 122.906 1.336 . . . . 0.0 108.957 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -91.04 171.53 9.2 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 125.384 1.473 . . . . 0.0 109.501 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -96.55 133.18 38.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-O 124.242 1.972 . . . . 0.0 112.606 -173.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.8 mt -128.56 142.16 44.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.085 0 C-N-CA 128.359 2.664 . . . . 0.0 105.445 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.6 113.69 26.51 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 124.601 1.161 . . . . 0.0 109.447 -177.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -101.24 123.98 46.22 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -172.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -121.27 157.15 30.96 Favored 'General case' 0 C--N 1.38 1.896 0 C-N-CA 126.891 2.076 . . . . 0.0 112.195 -177.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.1 p -134.3 154.75 51.13 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 126.464 1.906 . . . . 0.0 112.74 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -114.83 117.36 30.49 Favored 'General case' 0 C--N 1.363 1.188 0 N-CA-C 103.119 -2.919 . . . . 0.0 103.119 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 57.5 t -116.84 131.74 68.61 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 O-C-N 121.124 -0.985 . . . . 0.0 109.788 -167.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -83.37 134.7 34.89 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 125.876 1.67 . . . . 0.0 113.322 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . 0.251 65.5 mt-30 77.85 68.63 0.05 OUTLIER 'General case' 0 C--N 1.36 1.03 0 C-N-CA 126.817 2.047 . . . . 0.0 113.846 174.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.9 m -141.99 55.04 1.47 Allowed 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -109.32 27.6 9.37 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 126.728 2.011 . . . . 0.0 108.799 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.36 -56.34 1.57 Allowed Glycine 0 C--N 1.363 2.039 0 N-CA-C 119.551 2.58 . . . . 0.0 119.551 172.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -104.8 -42.91 5.24 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 125.829 1.652 . . . . 0.0 111.884 -177.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.99 156.78 18.82 Favored Glycine 0 C--N 1.35 1.35 0 N-CA-C 104.482 -3.447 . . . . 0.0 104.482 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 136.0 144.35 4.87 Favored Glycine 0 C--N 1.355 1.636 0 CA-C-N 119.378 1.589 . . . . 0.0 110.346 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -117.46 54.16 0.9 Allowed 'General case' 0 C--N 1.36 1.042 0 C-N-CA 124.9 1.28 . . . . 0.0 114.403 -173.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 45.2 p -98.78 173.19 7.0 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 124.806 1.242 . . . . 0.0 108.639 175.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -113.89 126.22 54.92 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -117.9 143.87 45.95 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 125.79 1.636 . . . . 0.0 109.284 -176.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -87.81 132.96 33.98 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.595 2.358 . . . . 0.0 112.505 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.3 p -143.41 159.18 17.13 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -84.0 139.84 32.28 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.642 1.577 . . . . 0.0 108.221 173.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -92.28 -51.74 5.01 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 124.304 1.042 . . . . 0.0 108.864 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -172.08 175.35 3.79 Favored 'General case' 0 C--N 1.361 1.08 0 N-CA-C 105.796 -1.928 . . . . 0.0 105.796 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.6 t -136.05 132.81 36.69 Favored 'General case' 0 CA--C 1.512 -0.504 1 N-CA-C 99.772 -4.159 . . . . 0.0 99.772 176.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.46 164.27 37.62 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -176.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.57 113.75 22.73 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 169.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -163.43 169.18 19.27 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.19 -1.368 . . . . 0.0 108.29 -167.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -129.45 117.25 20.23 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 125.403 1.481 . . . . 0.0 111.008 174.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.405 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 93.2 t -109.4 99.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.376 1.734 0 C-N-CA 129.037 2.935 . . . . 0.0 105.816 172.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -118.63 135.87 23.87 Favored Pre-proline 0 C--N 1.368 1.404 0 C-N-CA 128.096 2.558 . . . . 0.0 111.347 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.57 155.47 59.22 Favored 'Trans proline' 0 CA--C 1.555 1.557 0 C-N-CA 125.088 3.859 . . . . 0.0 116.154 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.367 1.5 mt 73.45 -141.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.376 1.732 0 C-N-CA 128.691 2.797 . . . . 0.0 111.998 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . 0.311 91.8 p 167.0 -148.45 0.0 OUTLIER 'General case' 0 C--N 1.365 1.268 0 C-N-CA 126.347 1.859 . . . . 0.0 108.698 174.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -90.07 -24.09 21.25 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.803 2.441 . . . . 0.0 111.059 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -65.33 -3.42 4.1 Favored 'General case' 0 C--N 1.365 1.264 0 N-CA-C 118.319 2.711 . . . . 0.0 118.319 -175.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -78.96 -31.35 45.0 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 126.706 2.003 . . . . 0.0 110.881 172.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -76.06 -14.22 60.2 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 129.289 3.036 . . . . 0.0 113.11 177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -86.35 -22.83 26.47 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 126.91 2.084 . . . . 0.0 110.23 173.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . 0.293 17.5 ttmm 73.92 52.6 0.11 Allowed 'General case' 0 C--N 1.365 1.282 0 C-N-CA 128.986 2.914 . . . . 0.0 114.626 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.24 25.96 4.03 Favored 'General case' 0 C--N 1.362 1.123 0 O-C-N 120.135 -1.603 . . . . 0.0 112.296 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -74.61 59.16 0.82 Allowed 'General case' 0 C--N 1.363 1.179 0 C-N-CA 129.613 3.165 . . . . 0.0 115.696 -175.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -102.68 137.36 41.0 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 125.781 1.632 . . . . 0.0 109.328 178.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.3 tp -71.33 135.85 47.55 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 126.986 2.114 . . . . 0.0 113.645 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 86.18 75.16 0.01 OUTLIER 'General case' 0 C--N 1.365 1.272 0 C-N-CA 127.49 2.316 . . . . 0.0 113.501 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.1 t -159.14 148.59 14.71 Favored Pre-proline 0 C--N 1.359 1.018 0 N-CA-C 103.712 -2.699 . . . . 0.0 103.712 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -72.39 155.95 55.03 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 125.157 3.905 . . . . 0.0 113.288 173.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 tt -41.97 154.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.247 1 C-N-CA 133.906 4.882 . . . . 0.0 118.783 -179.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.486 ' H ' ' HB3' ' A' ' 137' ' ' GLU . . . -126.12 140.78 12.34 Favored Glycine 0 C--N 1.363 2.058 0 O-C-N 118.795 -2.44 . . . . 0.0 113.794 -177.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -130.28 148.98 52.16 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -107.14 118.55 37.0 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 100.867 -3.753 . . . . 0.0 100.867 174.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 72' ' ' VAL . 49.5 mm -130.33 137.48 56.21 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.437 0 CA-C-N 114.328 -1.305 . . . . 0.0 109.47 -170.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -127.56 117.86 22.86 Favored 'General case' 0 C--N 1.358 0.948 1 N-CA-C 99.962 -4.088 . . . . 0.0 99.962 164.106 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.9 m -138.31 122.67 11.74 Favored Pre-proline 0 C--N 1.357 0.896 0 N-CA-C 104.641 -2.355 . . . . 0.0 104.641 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -62.76 124.87 14.87 Favored 'Trans proline' 0 C--N 1.386 2.515 0 C-N-CA 124.467 3.445 . . . . 0.0 110.425 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.414 5.3 t80 20.29 26.88 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.276 2 C-N-CA 132.974 4.51 . . . . 0.0 121.858 -168.532 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -103.71 126.26 50.73 Favored 'General case' 0 C--N 1.361 1.102 0 O-C-N 119.776 -1.828 . . . . 0.0 108.378 174.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.57 9.83 40.84 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 126.925 2.09 . . . . 0.0 109.465 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -102.44 0.72 34.25 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 120.187 3.403 . . . . 0.0 120.187 -170.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.404 HD13 HG22 ' A' ' 72' ' ' VAL . 1.1 pp -63.38 -46.46 95.33 Favored 'Isoleucine or valine' 0 C--N 1.389 2.322 0 CA-C-N 125.717 3.871 . . . . 0.0 113.685 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -133.84 113.33 12.13 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 128.042 2.537 . . . . 0.0 110.211 172.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -169.61 57.62 0.04 OUTLIER 'General case' 0 C--N 1.347 0.484 0 N-CA-C 102.586 -3.116 . . . . 0.0 102.586 175.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt 72.5 65.25 0.12 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 130.463 3.505 . . . . 0.0 110.755 -174.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.7 mmt -133.2 171.56 13.85 Favored 'General case' 0 C--N 1.363 1.17 0 CA-C-O 122.645 1.212 . . . . 0.0 112.93 -170.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -129.0 130.85 47.18 Favored 'General case' 0 C--N 1.367 1.36 0 N-CA-C 104.502 -2.407 . . . . 0.0 104.502 170.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.51 151.01 35.22 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 O-C-N 119.619 -1.925 . . . . 0.0 109.235 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.8 mt -112.16 107.79 23.85 Favored 'Isoleucine or valine' 0 C--N 1.363 1.16 0 N-CA-C 105.613 -1.995 . . . . 0.0 105.613 170.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -97.81 88.25 4.24 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 131.07 3.748 . . . . 0.0 106.527 172.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 58.78 39.9 23.63 Favored 'General case' 0 C--N 1.366 1.318 0 N-CA-C 118.286 2.698 . . . . 0.0 118.286 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.89 -9.49 75.35 Favored Glycine 0 C--N 1.358 1.757 0 C-N-CA 126.294 1.902 . . . . 0.0 114.843 -175.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -89.07 121.41 31.38 Favored 'General case' 0 C--N 1.359 1.019 0 C-N-CA 125.037 1.335 . . . . 0.0 110.212 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 24.9 pt -90.31 120.56 39.37 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 C-N-CA 126.609 1.963 . . . . 0.0 110.645 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.36 137.37 57.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 C-N-CA 127.231 2.213 . . . . 0.0 108.226 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.0 t -130.24 132.27 45.89 Favored 'General case' 0 C--N 1.365 1.277 0 N-CA-C 104.1 -2.555 . . . . 0.0 104.1 173.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.38 154.36 12.14 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -171.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 68.8 mt -81.23 -71.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.732 0 C-N-CA 125.713 1.605 . . . . 0.0 111.497 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.4 168.69 40.17 Favored Glycine 0 C--N 1.368 2.333 0 N-CA-C 119.271 2.469 . . . . 0.0 119.271 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -162.57 79.03 1.85 Allowed Pre-proline 0 C--N 1.37 1.48 0 C-N-CA 125.086 1.354 . . . . 0.0 113.183 177.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -77.13 137.24 17.0 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 125.217 3.945 . . . . 0.0 116.097 -174.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.0 t -112.27 123.46 68.02 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 C-N-CA 126.425 1.89 . . . . 0.0 108.042 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -83.28 115.68 22.08 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 126.787 2.035 . . . . 0.0 109.284 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.2 mt -91.26 -12.23 35.8 Favored 'General case' 0 C--N 1.362 1.123 0 O-C-N 120.087 -1.633 . . . . 0.0 112.722 -174.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.8 t -152.01 -162.46 1.52 Allowed 'General case' 0 C--N 1.35 0.629 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -99.43 -155.06 28.47 Favored Glycine 0 C--N 1.361 1.935 0 C-N-CA 126.423 1.963 . . . . 0.0 114.354 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 24.9 mt -56.52 122.79 12.78 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 117.434 2.383 . . . . 0.0 117.434 -176.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . 0.273 0.3 OUTLIER 85.4 -13.54 0.62 Allowed 'General case' 0 C--N 1.369 1.414 0 C-N-CA 130.494 3.518 . . . . 0.0 114.45 -177.573 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -83.78 -130.45 0.03 OUTLIER 'General case' 0 C--N 1.359 0.981 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 -175.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 46.1 mm -114.34 126.18 71.8 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 O-C-N 119.252 -2.155 . . . . 0.0 114.808 -170.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 96.9 m -116.05 127.07 54.59 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 104.301 -2.481 . . . . 0.0 104.301 167.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -124.13 137.48 54.55 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 125.742 1.617 . . . . 0.0 112.028 -172.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . 0.304 0.3 OUTLIER -126.07 128.92 72.19 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 O-C-N 119.687 -1.883 . . . . 0.0 107.638 176.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -121.88 129.75 52.82 Favored 'General case' 0 C--N 1.358 0.964 0 N-CA-C 106.714 -1.588 . . . . 0.0 106.714 178.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.14 162.5 28.38 Favored Glycine 0 C--N 1.347 1.148 0 N-CA-C 107.408 -2.277 . . . . 0.0 107.408 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.82 128.79 47.11 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 125.782 1.633 . . . . 0.0 108.453 174.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.486 ' HB3' ' H ' ' A' ' 91' ' ' GLY . 10.6 pt-20 -99.77 144.39 28.9 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 125.336 1.454 . . . . 0.0 112.634 175.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -76.84 69.46 3.18 Favored 'General case' 0 C--N 1.367 1.341 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 154.66 -138.16 6.02 Favored Glycine 0 C--N 1.354 1.576 0 N-CA-C 106.762 -2.535 . . . . 0.0 106.762 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . 73.67 -19.16 0.35 Allowed 'General case' 0 C--N 1.359 1.003 0 N-CA-C 119.188 3.033 . . . . 0.0 119.188 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -157.46 161.86 38.91 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.2 t -84.1 65.46 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.207 0 C-N-CA 127.243 2.217 . . . . 0.0 111.64 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.662 0 C-N-CA 125.639 1.59 . . . . 0.0 111.173 -179.725 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 94.2 mmm . . . . . 0 N--CA 1.439 -1.02 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -93.64 56.49 2.38 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 127.357 2.263 . . . . 0.0 110.188 177.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -167.58 -178.2 3.84 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 128.043 2.537 . . . . 0.0 106.795 -173.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -73.74 43.48 0.15 Allowed 'General case' 0 C--N 1.367 1.364 0 C-N-CA 128.592 2.757 . . . . 0.0 118.118 -175.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . 0.251 67.5 t80 91.58 -91.98 0.01 OUTLIER 'General case' 0 C--N 1.364 1.229 0 C-N-CA 130.615 3.566 . . . . 0.0 107.976 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . 0.305 70.1 mtm180 53.78 43.73 30.58 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 130.089 3.356 . . . . 0.0 118.715 175.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -89.16 159.6 17.41 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 126.362 1.865 . . . . 0.0 109.019 175.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.17 115.33 36.53 Favored 'Isoleucine or valine' 0 C--N 1.359 0.983 0 CA-C-O 123.445 1.593 . . . . 0.0 110.057 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.262 1.0 OUTLIER -118.03 171.36 6.44 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 C-N-CA 127.189 2.195 . . . . 0.0 110.821 -172.899 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.4 m -109.23 117.09 33.21 Favored 'General case' 0 C--N 1.381 1.951 0 CA-C-N 120.948 1.703 . . . . 0.0 112.409 -176.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 3.1 m-85 -104.46 133.57 49.12 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 125.387 1.475 . . . . 0.0 111.161 -176.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -124.19 160.05 28.75 Favored 'General case' 0 C--N 1.384 2.084 0 C-N-CA 129.482 3.113 . . . . 0.0 109.845 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 t -142.42 161.07 38.99 Favored 'General case' 0 C--N 1.368 1.377 0 O-C-N 120.253 -1.529 . . . . 0.0 112.322 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -112.77 127.38 56.14 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.14 157.17 43.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.465 ' HG3' ' H ' ' A' ' 51' ' ' GLN . 8.7 pt-20 -88.5 -103.69 0.08 Allowed 'General case' 0 C--N 1.361 1.093 0 C-N-CA 124.75 1.22 . . . . 0.0 110.424 173.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.465 ' H ' ' HG3' ' A' ' 50' ' ' GLU . 32.2 tt0 97.49 152.2 0.02 OUTLIER 'General case' 0 C--N 1.363 1.161 0 C-N-CA 129.649 3.18 . . . . 0.0 110.076 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.3 t -90.83 57.16 3.46 Favored 'General case' 0 C--N 1.37 1.462 0 O-C-N 119.955 -1.716 . . . . 0.0 110.997 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -132.84 150.02 52.2 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 127.629 2.372 . . . . 0.0 106.63 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.42 -137.43 6.81 Favored Glycine 0 CA--C 1.49 -1.529 0 N-CA-C 104.867 -3.293 . . . . 0.0 104.867 -177.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -88.8 -50.69 6.07 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 124.595 1.158 . . . . 0.0 111.75 177.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.54 77.6 0.15 Allowed Glycine 0 C--N 1.35 1.354 0 O-C-N 120.821 -1.174 . . . . 0.0 111.595 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.31 -85.64 0.15 Allowed Glycine 0 C--N 1.353 1.502 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -164.82 152.17 11.31 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 125.396 1.478 . . . . 0.0 108.421 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.8 p -146.63 161.26 40.92 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 102.373 -3.195 . . . . 0.0 102.373 176.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -113.16 144.81 42.02 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -176.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -132.29 156.62 46.23 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 126.427 1.891 . . . . 0.0 109.955 -175.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -114.06 131.8 56.25 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 127.423 2.289 . . . . 0.0 106.97 176.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.6 m -141.09 159.17 23.08 Favored 'Isoleucine or valine' 0 C--N 1.365 1.257 0 C-N-CA 125.27 1.428 . . . . 0.0 108.546 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -96.09 129.35 43.41 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 127.859 2.464 . . . . 0.0 107.058 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -91.65 -63.13 1.29 Allowed 'General case' 0 C--N 1.358 0.95 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -171.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -163.28 176.81 9.55 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -171.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.2 t -126.67 132.62 51.15 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 104.481 -2.414 . . . . 0.0 104.481 169.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.26 165.06 36.92 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 -174.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.91 114.74 20.72 Favored 'General case' 0 C--N 1.365 1.279 0 CA-C-O 124.499 2.095 . . . . 0.0 113.667 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -163.54 169.69 18.37 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.197 -1.365 . . . . 0.0 108.272 -175.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -122.63 106.77 11.27 Favored 'General case' 0 N--CA 1.442 -0.836 1 N-CA-C 100.009 -4.071 . . . . 0.0 100.009 169.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.42 96.4 4.57 Favored 'Isoleucine or valine' 0 C--N 1.365 1.247 0 N-CA-C 101.101 -3.666 . . . . 0.0 101.101 -172.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -121.65 151.11 56.63 Favored Pre-proline 0 C--N 1.375 1.709 0 CA-C-N 121.962 2.164 . . . . 0.0 115.158 -170.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -71.52 152.82 60.3 Favored 'Trans proline' 0 C--N 1.367 1.528 0 C-N-CA 124.453 3.435 . . . . 0.0 114.272 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.0 tt -84.18 32.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.368 1.374 0 CA-C-O 124.831 2.253 . . . . 0.0 114.354 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 52.1 p -128.36 95.98 4.3 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 128.845 2.858 . . . . 0.0 107.31 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -79.23 -121.66 0.01 OUTLIER 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.315 1.846 . . . . 0.0 113.189 -177.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -100.09 -5.67 27.54 Favored 'General case' 0 C--N 1.361 1.094 0 O-C-N 119.561 -1.962 . . . . 0.0 111.271 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -98.93 67.98 1.69 Allowed 'General case' 0 C--N 1.356 0.887 0 C-N-CA 127.405 2.282 . . . . 0.0 114.329 -174.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -80.3 -20.29 44.68 Favored 'General case' 0 C--N 1.363 1.18 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 24.8 t80 79.13 -176.83 0.09 Allowed 'General case' 0 C--N 1.364 1.214 0 C-N-CA 127.631 2.372 . . . . 0.0 113.494 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -94.74 -74.58 0.54 Allowed 'General case' 0 C--N 1.357 0.92 0 C-N-CA 125.239 1.416 . . . . 0.0 112.167 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.57 30.05 0.06 Allowed 'General case' 0 C--N 1.362 1.135 0 N-CA-C 117.773 2.508 . . . . 0.0 117.773 -176.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -145.84 149.74 34.86 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 104.458 -2.423 . . . . 0.0 104.458 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -136.12 72.11 1.43 Allowed 'General case' 0 C--N 1.355 0.827 0 CA-C-O 123.184 1.468 . . . . 0.0 108.358 175.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.9 mt -87.93 72.6 9.28 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.936 1.695 . . . . 0.0 110.154 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -72.85 -47.34 47.03 Favored 'General case' 0 C--N 1.369 1.432 0 C-N-CA 127.974 2.509 . . . . 0.0 112.776 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.6 p -99.19 108.1 48.04 Favored Pre-proline 0 C--N 1.358 0.976 0 CA-C-O 116.976 -1.488 . . . . 0.0 108.082 173.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -79.19 155.36 25.56 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 124.816 3.677 . . . . 0.0 112.229 178.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.6 pt -114.96 39.21 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.737 0 O-C-N 120.747 -1.221 . . . . 0.0 110.062 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.3 145.5 8.9 Favored Glycine 0 CA--C 1.487 -1.662 0 O-C-N 120.569 -1.332 . . . . 0.0 113.072 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.1 m-30 -116.36 162.02 18.17 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 126.689 1.995 . . . . 0.0 113.359 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -132.52 119.39 20.49 Favored 'General case' 0 C--N 1.364 1.208 0 N-CA-C 103.141 -2.911 . . . . 0.0 103.141 163.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -142.47 134.56 26.11 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 O-C-N 119.726 -1.859 . . . . 0.0 110.287 -167.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -131.66 150.34 52.18 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 124.952 1.301 . . . . 0.0 110.175 173.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 t -141.13 153.7 67.1 Favored Pre-proline 0 C--N 1.351 0.658 0 N-CA-C 104.137 -2.542 . . . . 0.0 104.137 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.42 126.08 10.08 Favored 'Trans proline' 0 CA--C 1.55 1.28 0 CA-C-N 125.73 3.082 . . . . 0.0 110.311 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.402 0.3 OUTLIER 19.64 20.42 0.0 OUTLIER 'General case' 0 C--N 1.367 1.357 2 C-N-CA 137.03 6.132 . . . . 0.0 122.939 -175.658 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -104.44 150.6 24.41 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 128.446 2.698 . . . . 0.0 109.802 174.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -110.24 64.33 0.61 Allowed 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.348 -1.47 . . . . 0.0 107.459 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -76.58 -49.91 15.17 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.656 2.382 . . . . 0.0 111.265 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.04 131.39 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.2 0 C-N-CA 130.849 3.66 . . . . 0.0 112.983 174.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -135.44 -171.86 2.94 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -166.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -97.61 128.58 44.43 Favored 'General case' 0 C--N 1.365 1.251 0 C-N-CA 130.222 3.409 . . . . 0.0 105.248 170.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 79.32 53.87 0.02 OUTLIER 'General case' 0 C--N 1.362 1.151 0 C-N-CA 128.986 2.914 . . . . 0.0 109.085 -173.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.1 tpt -124.77 149.63 47.14 Favored 'General case' 0 C--N 1.364 1.233 0 CA-C-O 124.301 2.001 . . . . 0.0 113.09 -171.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -136.27 126.18 25.87 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 102.557 -3.127 . . . . 0.0 102.557 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 97.1 t -129.27 140.34 49.43 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 O-C-N 119.389 -2.07 . . . . 0.0 105.671 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 51.3 mt -99.17 104.28 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 N-CA-C 103.661 -2.718 . . . . 0.0 103.661 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -96.68 93.54 6.78 Favored 'General case' 0 N--CA 1.433 -1.299 0 C-N-CA 129.135 2.974 . . . . 0.0 110.365 175.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . 0.257 21.9 ttm180 52.35 42.92 31.23 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 128.73 2.812 . . . . 0.0 116.89 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.74 -6.41 77.07 Favored Glycine 0 C--N 1.36 1.884 0 C-N-CA 126.353 1.93 . . . . 0.0 116.5 -175.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -94.28 126.5 39.57 Favored 'General case' 0 C--N 1.36 1.053 0 CA-C-N 119.895 1.847 . . . . 0.0 110.013 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.8 mm -94.72 106.8 18.59 Favored 'Isoleucine or valine' 0 C--N 1.371 1.522 0 C-N-CA 124.142 0.977 . . . . 0.0 109.313 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.23 148.22 27.22 Favored 'Isoleucine or valine' 0 C--N 1.367 1.335 0 C-N-CA 125.547 1.539 . . . . 0.0 112.27 -176.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.3 p -111.93 142.25 44.57 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 128.853 2.861 . . . . 0.0 115.724 -176.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -156.16 157.19 35.52 Favored 'General case' 0 C--N 1.368 1.378 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 176.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.3 pt -140.64 102.64 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.37 1.481 0 C-N-CA 125.714 1.606 . . . . 0.0 106.792 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -147.31 161.45 28.49 Favored Glycine 0 C--N 1.359 1.842 0 O-C-N 119.178 -2.201 . . . . 0.0 114.826 -172.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -107.32 138.83 20.02 Favored Pre-proline 0 C--N 1.357 0.917 0 C-N-CA 126.471 1.908 . . . . 0.0 110.309 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -85.7 154.65 10.27 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 123.958 3.105 . . . . 0.0 115.693 -172.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 18.2 t -130.42 139.52 51.14 Favored 'Isoleucine or valine' 0 C--N 1.367 1.33 0 C-N-CA 128.291 2.636 . . . . 0.0 109.112 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -101.61 128.15 48.02 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 125.943 1.697 . . . . 0.0 109.849 174.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -82.34 -3.7 55.9 Favored 'General case' 0 C--N 1.364 1.21 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -174.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.6 t 176.91 -171.01 0.08 Allowed 'General case' 0 C--N 1.348 0.513 0 N-CA-C 102.502 -3.147 . . . . 0.0 102.502 174.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -133.98 52.72 0.81 Allowed Glycine 0 C--N 1.357 1.696 0 CA-C-N 120.052 1.297 . . . . 0.0 113.847 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -137.28 24.86 2.96 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 121.389 -1.065 . . . . 0.0 111.263 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 74.67 56.07 0.08 Allowed 'General case' 0 C--N 1.366 1.317 0 C-N-CA 127.625 2.37 . . . . 0.0 112.548 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -104.82 -112.27 0.25 Allowed 'General case' 0 C--N 1.355 0.846 0 C-N-CA 125.125 1.37 . . . . 0.0 111.519 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.8 mt -111.57 138.45 40.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 O-C-N 120.506 -1.371 . . . . 0.0 111.347 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.96 126.86 54.37 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 128.495 2.718 . . . . 0.0 105.747 167.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.417 HH22 ' HZ2' ' A' ' 134' ' ' LYS . 74.0 ttt-85 -124.3 138.54 54.38 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 127.07 2.148 . . . . 0.0 108.972 -177.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 16.9 tt -128.29 141.16 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 174.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.417 ' HZ2' HH22 ' A' ' 132' ' ' ARG . 51.3 tttp -128.05 118.3 23.22 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 103.431 -2.803 . . . . 0.0 103.431 -179.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.39 132.51 4.49 Favored Glycine 0 C--N 1.362 1.978 0 C-N-CA 123.912 0.768 . . . . 0.0 112.325 -174.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -165.6 164.34 19.22 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 118.064 0.932 . . . . 0.0 110.74 -173.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -113.63 138.23 50.48 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 125.679 1.592 . . . . 0.0 108.255 173.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -124.79 22.38 8.17 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 126.456 1.902 . . . . 0.0 109.755 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 82.06 -62.81 4.5 Favored Glycine 0 C--N 1.363 2.038 0 C-N-CA 126.772 2.13 . . . . 0.0 114.706 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -162.42 -178.47 6.3 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 102.619 -3.104 . . . . 0.0 102.619 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -143.99 137.72 27.91 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . 0.436 4.7 p 61.01 -56.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.045 0 C-N-CA 129.421 3.088 . . . . 0.0 118.279 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.616 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -178.842 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.435 -1.215 0 CA-C-O 121.9 0.857 . . . . 0.0 109.799 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -106.72 139.18 41.57 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.578 1.551 . . . . 0.0 109.871 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -119.42 -95.31 0.49 Allowed 'General case' 0 C--N 1.361 1.07 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 174.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -137.29 108.78 6.93 Favored 'General case' 0 CA--C 1.5 -0.964 1 N-CA-C 99.463 -4.273 . . . . 0.0 99.463 173.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -132.38 74.7 1.59 Allowed 'General case' 0 C--N 1.358 0.966 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -175.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -150.87 43.38 0.81 Allowed 'General case' 0 C--N 1.357 0.908 0 CA-C-O 122.946 1.355 . . . . 0.0 110.112 -177.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -105.91 172.56 6.74 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 125.767 1.627 . . . . 0.0 109.973 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 m -116.95 127.14 74.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 126.363 1.865 . . . . 0.0 106.238 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.0 pt -139.43 167.91 19.19 Favored 'Isoleucine or valine' 0 C--N 1.369 1.453 0 O-C-N 120.707 -1.246 . . . . 0.0 113.021 -174.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 m -114.55 116.72 29.25 Favored 'General case' 0 C--N 1.377 1.793 0 C-N-CA 125.864 1.666 . . . . 0.0 111.965 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 92.4 m-85 -98.64 135.61 39.91 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 124.51 1.124 . . . . 0.0 111.794 177.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -136.66 171.28 14.72 Favored 'General case' 0 C--N 1.376 1.738 0 C-N-CA 126.351 1.86 . . . . 0.0 112.83 -173.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 t -136.97 141.44 42.6 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 125.889 1.675 . . . . 0.0 107.987 172.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -100.94 124.64 46.94 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 171.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 75.2 t -111.09 128.27 67.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 C-N-CA 126.781 2.033 . . . . 0.0 106.121 -173.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -144.21 -53.54 0.33 Allowed 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 105.326 -2.102 . . . . 0.0 105.326 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -101.86 161.25 13.81 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 126.596 1.958 . . . . 0.0 110.24 173.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.7 m -179.03 154.81 0.71 Allowed 'General case' 0 C--N 1.355 0.836 0 C-N-CA 129.996 3.318 . . . . 0.0 102.745 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -78.83 57.97 2.23 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 -174.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.71 -25.56 1.8 Allowed Glycine 0 C--N 1.356 1.668 0 C-N-CA 123.714 0.673 . . . . 0.0 111.982 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -128.31 60.25 1.49 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 123.055 1.407 . . . . 0.0 108.688 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -149.58 146.22 15.26 Favored Glycine 0 CA--C 1.489 -1.548 0 N-CA-C 107.072 -2.411 . . . . 0.0 107.072 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.74 -144.02 4.88 Favored Glycine 0 C--N 1.356 1.682 0 CA-C-N 117.899 0.85 . . . . 0.0 114.18 -176.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -100.42 55.55 0.9 Allowed 'General case' 0 C--N 1.37 1.467 0 C-N-CA 127.112 2.165 . . . . 0.0 113.5 -175.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.8 t -154.92 165.87 35.34 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 103.64 -2.726 . . . . 0.0 103.64 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -134.2 148.89 50.96 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 119.529 1.059 . . . . 0.0 109.273 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -141.62 149.87 41.25 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 125.919 1.687 . . . . 0.0 108.722 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -114.72 139.59 49.56 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 127.809 2.444 . . . . 0.0 108.423 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.4 p -141.01 153.55 20.59 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -95.03 133.19 39.08 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 126.194 1.798 . . . . 0.0 107.39 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -86.17 -53.62 4.94 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 125.483 1.513 . . . . 0.0 111.109 -174.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.404 ' CZ ' ' CD1' ' A' ' 45' ' ' PHE . 7.2 p90 -170.7 175.27 4.65 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.2 m -141.36 133.07 27.21 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 100.961 -3.718 . . . . 0.0 100.961 175.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.12 163.71 39.3 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-O 122.221 1.01 . . . . 0.0 112.324 -175.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.59 112.8 19.82 Favored 'General case' 0 C--N 1.37 1.479 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 171.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -169.45 169.86 8.66 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 123.269 1.509 . . . . 0.0 107.286 -168.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -144.2 131.45 20.74 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 120.335 -1.478 . . . . 0.0 109.944 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.494 ' HA ' ' HB ' ' A' ' 94' ' ' ILE . 58.0 t -114.53 99.18 8.04 Favored 'Isoleucine or valine' 0 C--N 1.367 1.335 0 C-N-CA 128.255 2.622 . . . . 0.0 105.141 -177.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -106.03 137.37 19.35 Favored Pre-proline 0 C--N 1.357 0.9 0 C-N-CA 127.239 2.216 . . . . 0.0 110.303 -174.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -71.83 155.49 58.03 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 124.36 3.373 . . . . 0.0 114.468 -176.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.7 pt -64.01 110.3 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.221 0 O-C-N 120.615 -1.303 . . . . 0.0 113.5 176.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.6 m -72.0 62.18 0.45 Allowed 'General case' 0 C--N 1.366 1.319 0 N-CA-C 116.703 2.112 . . . . 0.0 116.703 -177.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -82.89 60.29 5.31 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 127.862 2.465 . . . . 0.0 109.68 176.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.99 -43.62 71.08 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 126.26 1.824 . . . . 0.0 115.809 -176.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 69.66 -62.46 0.42 Allowed 'General case' 0 C--N 1.36 1.028 0 C-N-CA 127.928 2.491 . . . . 0.0 115.108 -178.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -96.88 -63.79 1.1 Allowed 'General case' 0 C--N 1.362 1.14 0 C-N-CA 126.578 1.951 . . . . 0.0 112.482 177.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -158.24 -55.88 0.07 Allowed 'General case' 0 C--N 1.356 0.862 0 O-C-N 120.878 -1.139 . . . . 0.0 110.547 -176.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -87.27 145.04 26.53 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 120.505 -1.372 . . . . 0.0 113.455 -176.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.67 30.81 0.01 OUTLIER 'General case' 0 C--N 1.364 1.221 0 C-N-CA 130.782 3.633 . . . . 0.0 119.854 -177.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . 0.276 2.1 mt-30 93.08 141.75 0.03 OUTLIER 'General case' 0 C--N 1.363 1.191 0 C-N-CA 130.133 3.373 . . . . 0.0 111.137 -176.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -92.15 -0.84 57.42 Favored 'General case' 0 C--N 1.367 1.357 0 O-C-N 119.536 -1.978 . . . . 0.0 111.824 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.0 tp -127.46 91.94 3.4 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 129.158 2.983 . . . . 0.0 104.134 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.33 61.81 7.1 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 125.244 1.417 . . . . 0.0 111.961 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.0 m -104.15 108.52 60.37 Favored Pre-proline 0 C--N 1.356 0.874 0 C-N-CA 128.05 2.54 . . . . 0.0 104.683 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -79.47 123.13 5.32 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 122.846 2.364 . . . . 0.0 115.057 -169.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 38.4 pt -121.76 -22.77 3.17 Favored 'Isoleucine or valine' 0 C--N 1.358 0.973 0 C-N-CA 127.771 2.428 . . . . 0.0 112.877 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.34 142.9 11.45 Favored Glycine 0 C--N 1.366 2.249 0 CA-C-N 122.164 2.256 . . . . 0.0 112.539 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.417 ' CD2' HG11 ' A' ' 72' ' ' VAL . 10.3 m-85 -134.94 132.84 38.91 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 122.473 1.13 . . . . 0.0 110.714 -178.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -99.8 120.1 39.21 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 128.88 2.872 . . . . 0.0 104.987 174.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.494 ' HB ' ' HA ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -147.97 143.87 19.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 O-C-N 120.755 -1.216 . . . . 0.0 111.542 -171.412 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.375 2.4 p90 -132.54 148.09 52.37 Favored 'General case' 0 C--N 1.367 1.328 0 CA-C-O 121.722 0.772 . . . . 0.0 109.05 162.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 11.2 t -140.44 163.2 45.06 Favored Pre-proline 0 C--N 1.358 0.942 0 N-CA-C 104.551 -2.388 . . . . 0.0 104.551 174.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -69.39 142.8 50.59 Favored 'Trans proline' 0 CA--C 1.561 1.83 0 C-N-CA 123.228 2.619 . . . . 0.0 109.961 158.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.315 0.3 OUTLIER 10.24 19.81 0.0 OUTLIER 'General case' 0 C--N 1.356 0.857 2 C-N-CA 137.232 6.213 . . . . 0.0 125.933 -174.765 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -103.25 131.38 50.34 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 126.547 1.939 . . . . 0.0 109.841 176.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -107.37 28.28 8.26 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 126.674 1.99 . . . . 0.0 113.807 -175.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 87.8 mmt-85 -100.72 -27.7 13.22 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 120.837 -1.164 . . . . 0.0 112.948 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . 0.301 0.7 OUTLIER 7.35 -77.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.377 1.769 1 C-N-CA 135.928 5.691 . . . . 0.0 119.396 166.313 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . 0.259 9.4 p-10 -132.3 113.58 13.39 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 103.86 -2.644 . . . . 0.0 103.86 159.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -142.08 -70.64 0.34 Allowed 'General case' 0 C--N 1.357 0.892 0 O-C-N 120.093 -1.63 . . . . 0.0 112.6 -173.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -173.55 53.87 0.02 OUTLIER 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.539 1.536 . . . . 0.0 107.655 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.406 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 13.3 mtt -157.7 -148.14 0.2 Allowed 'General case' 0 C--N 1.362 1.121 0 C-N-CA 124.103 0.961 . . . . 0.0 110.167 -165.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -137.69 163.67 30.73 Favored 'General case' 0 C--N 1.378 1.817 0 CA-C-O 122.739 1.257 . . . . 0.0 111.673 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.8 p -149.06 151.7 12.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 O-C-N 119.108 -2.245 . . . . 0.0 108.348 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 46.0 mt -112.54 106.24 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.189 0 N-CA-C 103.671 -2.715 . . . . 0.0 103.671 171.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -96.77 99.6 11.18 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.731 2.012 . . . . 0.0 107.632 172.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 54.36 32.62 16.77 Favored 'General case' 0 C--N 1.366 1.308 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.61 -4.19 75.82 Favored Glycine 0 C--N 1.36 1.885 0 C-N-CA 125.503 1.525 . . . . 0.0 114.803 -171.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -93.62 114.69 27.07 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 124.984 1.314 . . . . 0.0 108.5 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 16.7 pt -81.5 116.11 25.21 Favored 'Isoleucine or valine' 0 C--N 1.366 1.294 0 C-N-CA 126.937 2.095 . . . . 0.0 110.434 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 87.7 t -120.77 128.29 76.03 Favored 'Isoleucine or valine' 0 C--N 1.363 1.175 0 C-N-CA 126.865 2.066 . . . . 0.0 110.324 -172.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 p -87.22 116.91 25.63 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 131.073 3.749 . . . . 0.0 110.364 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' A' ' 106' ' ' MET 0.258 0.5 OUTLIER -125.26 150.09 47.39 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 120.824 3.639 . . . . 0.0 120.824 -172.361 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 16.8 tt -144.67 149.32 17.26 Favored 'Isoleucine or valine' 0 C--N 1.372 1.559 0 C-N-CA 130.451 3.5 . . . . 0.0 105.832 172.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 174.54 -175.67 46.82 Favored Glycine 0 C--N 1.369 2.38 0 CA-C-N 120.282 1.401 . . . . 0.0 113.163 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -143.66 120.32 6.58 Favored Pre-proline 0 C--N 1.366 1.298 0 CA-C-O 115.78 -2.057 . . . . 0.0 106.299 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -94.36 159.18 2.03 Favored 'Trans proline' 0 C--N 1.351 0.699 1 C-N-CA 125.355 4.037 . . . . 0.0 113.798 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 10.7 m -126.06 140.16 49.43 Favored 'Isoleucine or valine' 0 C--N 1.363 1.186 0 C-N-CA 125.258 1.423 . . . . 0.0 107.647 172.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -101.66 136.22 41.87 Favored 'General case' 0 C--N 1.364 1.226 0 O-C-N 120.586 -1.321 . . . . 0.0 112.971 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.37 -1.29 56.05 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 129.996 3.318 . . . . 0.0 114.15 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 t -30.89 20.2 0.0 OUTLIER 'General case' 0 C--N 1.362 1.12 2 C-N-CA 135.259 5.423 . . . . 0.0 122.981 -175.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -119.4 -30.14 1.61 Allowed Glycine 0 C--N 1.357 1.697 0 C-N-CA 128.658 3.028 . . . . 0.0 112.495 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 pp -106.18 -35.53 7.17 Favored 'General case' 0 C--N 1.364 1.201 0 CA-C-N 118.916 1.358 . . . . 0.0 113.892 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -167.54 153.76 7.82 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -79.39 58.75 2.7 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 127.41 2.284 . . . . 0.0 114.814 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 13.0 tt -113.41 127.91 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-O 123.389 1.566 . . . . 0.0 110.881 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 p -107.66 119.24 38.89 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 127.096 2.158 . . . . 0.0 105.568 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -124.32 137.61 54.47 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 126.531 1.932 . . . . 0.0 107.222 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 14.8 tt -140.66 143.67 28.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 CA-C-O 122.599 1.19 . . . . 0.0 112.277 -176.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -129.09 113.38 15.05 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 103.854 -2.647 . . . . 0.0 103.854 167.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.57 147.77 18.93 Favored Glycine 0 C--N 1.365 2.14 0 CA-C-N 119.482 1.037 . . . . 0.0 111.468 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -150.6 156.84 42.17 Favored 'General case' 0 C--N 1.36 1.026 0 O-C-N 120.478 -1.601 . . . . 0.0 111.441 -178.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -92.64 109.27 20.68 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 126.785 2.034 . . . . 0.0 111.879 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -146.41 -135.98 0.08 Allowed 'General case' 0 C--N 1.359 0.984 0 C-N-CA 126.525 1.93 . . . . 0.0 106.219 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -141.38 24.36 2.51 Favored Glycine 0 C--N 1.363 2.032 0 O-C-N 120.932 -1.105 . . . . 0.0 112.947 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -175.36 173.36 2.53 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 103.29 -2.856 . . . . 0.0 103.29 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -116.97 26.93 9.45 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 119.899 1.227 . . . . 0.0 111.438 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . 0.264 4.1 t 58.6 57.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.277 0 C-N-CA 129.304 3.042 . . . . 0.0 115.511 177.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.629 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 -179.042 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 N--CA 1.44 -0.975 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -143.74 -81.22 0.18 Allowed 'General case' 0 C--N 1.348 0.541 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -85.28 69.57 10.75 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 125.627 1.571 . . . . 0.0 110.435 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -94.18 162.53 13.82 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 126.119 1.767 . . . . 0.0 114.846 -175.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -162.7 -177.67 5.71 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 177.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -96.06 -18.04 20.49 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.615 1.566 . . . . 0.0 113.488 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -116.61 132.55 56.65 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 124.93 1.292 . . . . 0.0 111.213 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 m -111.01 116.5 52.68 Favored 'Isoleucine or valine' 0 C--N 1.37 1.459 0 C-N-CA 128.526 2.73 . . . . 0.0 107.735 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.92 168.29 17.83 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 C-N-CA 126.008 1.723 . . . . 0.0 112.555 -175.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.9 m -116.64 125.53 51.91 Favored 'General case' 0 C--N 1.38 1.894 0 C-N-CA 124.365 1.066 . . . . 0.0 110.715 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -110.04 125.36 52.85 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 125.074 1.35 . . . . 0.0 110.296 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -133.25 164.9 26.03 Favored 'General case' 0 C--N 1.374 1.65 0 C-N-CA 126.251 1.82 . . . . 0.0 110.722 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.8 p -141.56 159.81 41.45 Favored 'General case' 0 C--N 1.368 1.403 0 CA-C-O 122.931 1.348 . . . . 0.0 113.652 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -119.2 116.12 25.64 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 100.498 -3.889 . . . . 0.0 100.498 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.46 148.18 29.75 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.776 0 O-C-N 121.1 -1.0 . . . . 0.0 111.13 -168.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.05 176.19 7.2 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 126.901 2.08 . . . . 0.0 112.043 -176.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -109.44 -24.09 11.2 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 128.346 2.658 . . . . 0.0 109.079 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -163.57 -169.99 2.09 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 104.817 -2.29 . . . . 0.0 104.817 175.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -54.09 -44.9 71.61 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 128.186 2.594 . . . . 0.0 116.011 -177.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.87 -26.01 0.64 Allowed Glycine 0 CA--C 1.488 -1.622 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 176.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 62.38 -83.66 0.02 OUTLIER 'General case' 0 C--N 1.37 1.463 0 C-N-CA 128.8 2.84 . . . . 0.0 113.664 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -149.08 18.36 1.2 Allowed Glycine 0 C--N 1.349 1.253 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 170.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.63 -51.33 0.5 Allowed Glycine 0 CA--C 1.49 -1.524 0 O-C-N 121.282 -1.129 . . . . 0.0 110.576 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . 0.271 4.0 mppt? 74.48 62.12 0.07 Allowed 'General case' 0 C--N 1.364 1.234 0 C-N-CA 128.035 2.534 . . . . 0.0 110.304 -177.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.6 m -97.53 103.71 15.67 Favored 'General case' 0 C--N 1.358 0.969 0 CA-C-O 121.947 0.88 . . . . 0.0 111.909 -174.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -125.28 127.43 46.68 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 127.166 2.186 . . . . 0.0 105.319 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -112.15 135.87 52.25 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 125.596 1.558 . . . . 0.0 112.2 -173.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -92.57 120.52 33.1 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 125.737 1.615 . . . . 0.0 111.654 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.0 m -142.64 170.23 11.7 Favored 'Isoleucine or valine' 0 C--N 1.366 1.311 0 C-N-CA 127.026 2.131 . . . . 0.0 106.98 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -87.37 146.99 25.66 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.847 2.059 . . . . 0.0 109.555 173.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -96.09 -57.91 2.22 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 125.531 1.533 . . . . 0.0 109.833 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -167.16 171.96 10.41 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 104.378 -2.453 . . . . 0.0 104.378 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 p -130.02 132.58 46.29 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 101.122 -3.659 . . . . 0.0 101.122 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.73 164.67 36.86 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 118.231 2.678 . . . . 0.0 118.231 -173.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.74 119.67 34.64 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 127.263 2.225 . . . . 0.0 107.866 171.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.23 168.09 13.68 Favored 'General case' 0 CA--C 1.495 -1.144 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -103.04 106.92 17.54 Favored 'General case' 0 C--N 1.362 1.135 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 171.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.9 t -121.82 105.89 17.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 1 N-CA-C 98.426 -4.657 . . . . 0.0 98.426 -176.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -137.16 142.99 40.04 Favored Pre-proline 0 C--N 1.365 1.245 0 O-C-N 120.195 -1.566 . . . . 0.0 111.746 -169.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.75 139.1 42.98 Favored 'Trans proline' 0 C--N 1.371 1.723 0 C-N-CA 124.749 3.633 . . . . 0.0 113.655 175.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.557 0.0 OUTLIER 64.67 -165.12 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 C-N-CA 131.05 3.74 . . . . 0.0 117.489 -178.541 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.9 p -118.72 88.94 3.02 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 126.831 2.052 . . . . 0.0 113.295 -171.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -128.05 138.56 52.61 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 124.496 1.118 . . . . 0.0 113.617 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -101.33 7.72 42.65 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 126.458 1.903 . . . . 0.0 112.347 178.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 67.32 -59.29 0.4 Allowed 'General case' 0 C--N 1.362 1.134 0 C-N-CA 129.308 3.043 . . . . 0.0 116.675 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -93.35 -28.54 16.12 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 127.187 2.195 . . . . 0.0 113.07 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -94.87 64.48 2.88 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 124.691 1.196 . . . . 0.0 112.218 -175.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -110.63 88.12 2.7 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 127.957 2.503 . . . . 0.0 108.854 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.0 -2.61 29.26 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.288 1.835 . . . . 0.0 109.378 175.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . 0.275 9.1 mm100 82.82 42.45 0.03 OUTLIER 'General case' 0 C--N 1.355 0.84 0 C-N-CA 131.482 3.913 . . . . 0.0 111.599 -176.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -75.03 37.9 0.12 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 127.615 2.366 . . . . 0.0 114.837 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 tp 78.54 -161.07 0.03 OUTLIER 'General case' 0 C--N 1.357 0.924 0 C-N-CA 129.846 3.259 . . . . 0.0 115.261 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -173.62 161.47 3.97 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 127.206 2.202 . . . . 0.0 106.57 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.1 m -106.14 133.61 20.14 Favored Pre-proline 0 C--N 1.361 1.092 0 CA-C-O 116.713 -1.613 . . . . 0.0 108.624 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -79.51 123.62 5.49 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 CA-C-N 125.112 2.862 . . . . 0.0 109.742 169.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.9 mt 72.52 81.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.357 0 C-N-CA 126.608 1.963 . . . . 0.0 112.972 177.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -163.98 163.93 36.2 Favored Glycine 0 C--N 1.36 1.875 0 O-C-N 119.398 -2.064 . . . . 0.0 112.293 -176.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -128.91 143.1 50.79 Favored 'General case' 0 CA--C 1.494 -1.198 0 C-N-CA 127.046 2.138 . . . . 0.0 109.704 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.471 HD22 ' HE ' ' A' ' 132' ' ' ARG . 0.4 OUTLIER -143.13 121.15 12.08 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 102.665 -3.087 . . . . 0.0 102.665 173.481 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -133.9 152.24 34.19 Favored 'Isoleucine or valine' 0 C--N 1.36 1.025 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -168.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.296 0.1 OUTLIER -129.77 128.98 43.49 Favored 'General case' 0 C--N 1.373 1.601 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 166.828 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.9 t -139.04 158.96 68.69 Favored Pre-proline 0 C--N 1.353 0.732 0 C-N-CA 127.476 2.31 . . . . 0.0 107.706 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -65.92 142.81 70.45 Favored 'Trans proline' 0 CA--C 1.554 1.494 0 C-N-CA 124.012 3.141 . . . . 0.0 111.175 162.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.263 0.6 OUTLIER 2.43 22.11 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.107 2 C-N-CA 136.306 5.842 . . . . 0.0 125.668 -174.761 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -103.27 134.85 45.98 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 126.888 2.075 . . . . 0.0 110.979 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.14 19.94 19.7 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 127.446 2.299 . . . . 0.0 108.913 175.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -102.23 1.1 35.49 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 118.796 2.888 . . . . 0.0 118.796 -164.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . 0.33 0.2 OUTLIER -78.04 -64.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.717 0 CA-C-N 123.125 2.693 . . . . 0.0 113.529 177.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -120.26 112.63 19.29 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.512 1.525 . . . . 0.0 110.687 -176.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 78.9 tttt 168.63 60.83 0.0 OUTLIER 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.277 22.3 tptm 76.06 48.45 0.08 Allowed 'General case' 0 C--N 1.371 1.513 0 CA-C-O 125.064 2.364 . . . . 0.0 110.775 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -141.04 -177.9 5.32 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 111.779 -2.464 . . . . 0.0 107.871 -175.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -145.0 131.07 19.33 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.685 1.594 . . . . 0.0 108.768 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.322 1.0 OUTLIER -130.59 161.68 40.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 O-C-N 119.12 -2.237 . . . . 0.0 109.638 177.463 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.473 HG21 ' H ' ' A' ' 112' ' ' GLY . 5.9 mt -118.13 108.1 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 CA-C-N 111.506 -2.588 . . . . 0.0 107.585 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -94.23 82.82 4.15 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 126.652 1.981 . . . . 0.0 107.573 173.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 56.04 46.74 21.16 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 127.398 2.279 . . . . 0.0 116.795 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.473 ' H ' HG21 ' A' ' 109' ' ' ILE . . . 92.96 4.01 65.34 Favored Glycine 0 C--N 1.361 1.928 0 C-N-CA 126.421 1.963 . . . . 0.0 116.641 -174.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -99.52 104.6 16.43 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.642 1.577 . . . . 0.0 109.686 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -93.3 110.15 22.81 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 C-N-CA 126.904 2.081 . . . . 0.0 112.755 -176.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 36.1 t -130.7 138.47 53.59 Favored 'Isoleucine or valine' 0 C--N 1.37 1.484 0 C-N-CA 124.779 1.232 . . . . 0.0 109.597 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.4 m -105.25 131.52 52.62 Favored 'General case' 0 C--N 1.379 1.884 0 C-N-CA 129.638 3.175 . . . . 0.0 107.595 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.33 163.89 32.94 Favored 'General case' 0 C--N 1.365 1.25 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -171.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.75 143.67 38.47 Favored 'Isoleucine or valine' 0 C--N 1.362 1.14 0 C-N-CA 127.918 2.487 . . . . 0.0 106.032 173.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -168.82 -169.57 32.38 Favored Glycine 0 C--N 1.365 2.164 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -169.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -130.98 129.75 22.65 Favored Pre-proline 0 C--N 1.368 1.372 0 C-N-CA 125.379 1.472 . . . . 0.0 113.779 -174.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -99.87 148.18 0.46 Allowed 'Trans proline' 0 C--N 1.365 1.4 0 C-N-CA 124.597 3.531 . . . . 0.0 114.445 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 13.4 p -132.99 133.23 58.9 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 C-N-CA 125.939 1.696 . . . . 0.0 110.197 169.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -102.09 156.16 17.73 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 126.961 2.104 . . . . 0.0 110.047 173.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 40.5 mt -86.31 -3.11 58.92 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 119.63 -1.919 . . . . 0.0 113.585 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . 0.354 88.8 p 91.88 -94.69 0.0 OUTLIER 'General case' 0 C--N 1.358 0.949 1 C-N-CA 131.982 4.113 . . . . 0.0 108.776 -176.742 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -128.14 4.71 6.83 Favored Glycine 0 C--N 1.354 1.538 0 C-N-CA 125.803 1.668 . . . . 0.0 112.258 171.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 58.8 mt -82.73 57.03 3.6 Favored 'General case' 0 C--N 1.365 1.243 0 O-C-N 119.929 -1.924 . . . . 0.0 112.733 -177.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 93.3 126.52 0.02 OUTLIER 'General case' 0 C--N 1.367 1.359 0 C-N-CA 131.599 3.96 . . . . 0.0 106.349 -171.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -69.5 52.52 0.1 Allowed 'General case' 0 C--N 1.36 1.056 0 C-N-CA 127.56 2.344 . . . . 0.0 115.995 -176.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 7.9 pt -121.93 137.2 56.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 CA-C-O 123.616 1.674 . . . . 0.0 109.587 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.7 p -113.13 142.27 45.95 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 130.136 3.374 . . . . 0.0 107.94 176.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.471 ' HE ' HD22 ' A' ' 93' ' ' ASN . 77.6 ttt180 -115.71 136.09 53.4 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 175.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.3 mm -121.06 130.85 74.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.41 ' HZ1' ' HB3' ' A' ' 134' ' ' LYS . 9.3 mtpm? -123.15 108.24 12.63 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 128.014 2.526 . . . . 0.0 104.222 178.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -134.44 124.2 3.44 Favored Glycine 0 C--N 1.355 1.586 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -131.49 153.07 50.17 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -125.16 145.14 50.09 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 122.489 1.137 . . . . 0.0 110.069 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -101.38 56.06 0.83 Allowed 'General case' 0 C--N 1.358 0.949 0 C-N-CA 125.594 1.558 . . . . 0.0 109.098 177.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 119.51 -136.85 12.1 Favored Glycine 0 C--N 1.354 1.57 0 N-CA-C 108.456 -1.858 . . . . 0.0 108.456 -176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . 71.96 -64.53 0.39 Allowed 'General case' 0 C--N 1.357 0.928 0 C-N-CA 127.781 2.432 . . . . 0.0 117.362 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -103.24 71.46 1.11 Allowed 'General case' 0 C--N 1.36 1.065 0 CA-C-O 123.391 1.567 . . . . 0.0 110.39 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.8 p -145.62 123.65 4.81 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.395 0 N-CA-C 107.44 -2.264 . . . . 0.0 107.44 -179.171 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.9 mtm . . . . . 0 N--CA 1.442 -0.868 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . 0.252 3.7 t80 79.17 43.07 0.07 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 129.941 3.296 . . . . 0.0 112.918 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -82.4 47.25 1.13 Allowed 'General case' 0 C--N 1.359 0.989 0 O-C-N 119.773 -1.83 . . . . 0.0 114.562 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -134.45 -112.03 0.21 Allowed 'General case' 0 C--N 1.355 0.805 0 C-N-CA 126.818 2.047 . . . . 0.0 110.02 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -167.43 -176.66 3.31 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 126.047 1.739 . . . . 0.0 109.731 -178.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -93.88 -13.05 27.63 Favored 'General case' 0 C--N 1.364 1.224 0 C-N-CA 127.342 2.257 . . . . 0.0 113.624 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -131.19 140.21 49.86 Favored 'General case' 0 C--N 1.363 1.169 0 O-C-N 120.243 -1.536 . . . . 0.0 109.818 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 m -97.72 116.49 40.39 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 C-N-CA 126.083 1.753 . . . . 0.0 106.899 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.4 mm -98.5 157.97 3.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 C-N-CA 128.253 2.621 . . . . 0.0 111.068 -168.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.8 m -121.07 118.96 31.1 Favored 'General case' 0 C--N 1.368 1.372 0 O-C-N 120.56 -1.337 . . . . 0.0 108.564 -177.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.419 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 97.3 m-85 -112.21 127.51 55.97 Favored 'General case' 0 C--N 1.363 1.195 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -126.87 148.9 49.97 Favored 'General case' 0 C--N 1.38 1.909 0 C-N-CA 127.756 2.422 . . . . 0.0 109.795 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.1 t -127.71 161.06 29.81 Favored 'General case' 0 C--N 1.371 1.542 0 O-C-N 119.484 -2.01 . . . . 0.0 111.258 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -109.52 118.71 37.34 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 125.834 1.653 . . . . 0.0 107.786 176.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 81.7 t -101.65 133.66 44.42 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 C-N-CA 126.274 1.829 . . . . 0.0 109.888 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -154.84 -177.47 6.53 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -115.79 31.81 6.48 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-N 119.904 1.229 . . . . 0.0 110.972 -176.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 t 75.33 46.27 0.12 Allowed 'General case' 0 C--N 1.366 1.3 0 C-N-CA 127.069 2.148 . . . . 0.0 114.473 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.03 136.47 33.72 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.769 -1.207 . . . . 0.0 111.177 -177.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.75 -89.61 0.08 OUTLIER Glycine 0 C--N 1.36 1.883 0 N-CA-C 118.37 2.108 . . . . 0.0 118.37 -176.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -108.59 123.71 49.36 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 125.057 1.343 . . . . 0.0 111.375 -175.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.38 23.68 58.17 Favored Glycine 0 C--N 1.365 2.153 0 C-N-CA 126.068 1.794 . . . . 0.0 114.928 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.97 56.99 4.35 Favored Glycine 0 C--N 1.356 1.669 0 C-N-CA 126.322 1.915 . . . . 0.0 115.528 -175.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 30.26 -28.02 0.0 OUTLIER 'General case' 0 C--N 1.359 0.982 2 C-N-CA 136.28 5.832 . . . . 0.0 123.159 176.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.8 m -154.18 113.73 3.78 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 119.284 -2.135 . . . . 0.0 109.707 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -126.25 140.94 52.14 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 103.967 -2.605 . . . . 0.0 103.967 173.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.437 ' HZ3' ' HB2' ' A' ' 61' ' ' LYS . 4.4 ttmp? -141.72 149.32 40.35 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.624 1.17 . . . . 0.0 110.547 -174.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -114.02 124.41 52.07 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 127.591 2.356 . . . . 0.0 106.387 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 68.5 t -133.98 137.83 51.48 Favored 'Isoleucine or valine' 0 C--N 1.361 1.084 0 C-N-CA 127.76 2.424 . . . . 0.0 106.803 -175.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.98 130.19 36.92 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 126.186 1.794 . . . . 0.0 108.208 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -83.52 -59.65 2.38 Favored 'General case' 0 C--N 1.362 1.109 0 CA-C-O 122.536 1.16 . . . . 0.0 113.81 -172.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.419 ' CZ ' ' CD1' ' A' ' 45' ' ' PHE . 8.5 p90 -170.08 179.54 3.51 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 -174.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.8 t -139.24 132.77 30.35 Favored 'General case' 0 N--CA 1.445 -0.69 1 N-CA-C 99.892 -4.114 . . . . 0.0 99.892 169.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.56 162.65 39.74 Favored 'General case' 0 CA--C 1.504 -0.819 0 O-C-N 121.533 -0.73 . . . . 0.0 111.753 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.92 116.11 21.41 Favored 'General case' 0 C--N 1.364 1.231 0 O-C-N 120.636 -1.29 . . . . 0.0 107.528 177.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.38 156.31 21.14 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -167.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -108.82 107.24 17.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 174.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 10.9 t -106.98 99.23 8.15 Favored 'Isoleucine or valine' 0 C--N 1.373 1.604 0 N-CA-C 100.937 -3.727 . . . . 0.0 100.937 176.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -116.29 157.94 44.16 Favored Pre-proline 0 C--N 1.367 1.34 0 O-C-N 118.385 -2.697 . . . . 0.0 110.558 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.31 155.18 60.84 Favored 'Trans proline' 0 CA--C 1.549 1.231 0 CA-C-N 126.915 3.505 . . . . 0.0 113.639 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.358 13.1 tt -51.56 102.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.376 1.74 0 C-N-CA 127.206 2.202 . . . . 0.0 116.717 -178.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.0 p -105.98 -101.19 0.34 Allowed 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 129.694 3.198 . . . . 0.0 109.482 -174.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -170.97 -178.98 2.63 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 124.632 1.173 . . . . 0.0 110.539 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -100.5 -5.84 26.37 Favored 'General case' 0 C--N 1.361 1.106 0 C-N-CA 129.071 2.948 . . . . 0.0 113.586 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . 0.277 52.3 mm-40 80.81 -57.84 0.3 Allowed 'General case' 0 C--N 1.365 1.243 0 C-N-CA 128.802 2.841 . . . . 0.0 112.098 -173.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -81.88 4.32 22.85 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 127.833 2.453 . . . . 0.0 114.259 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -161.01 145.04 13.47 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 127.81 2.444 . . . . 0.0 106.802 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -156.01 139.94 16.29 Favored 'General case' 0 C--N 1.358 0.975 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 175.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.76 -62.33 1.27 Allowed 'General case' 0 C--N 1.36 1.048 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 171.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 72.6 -139.94 0.04 OUTLIER 'General case' 0 C--N 1.364 1.216 0 C-N-CA 128.011 2.525 . . . . 0.0 113.246 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . 0.349 3.6 mp0 82.11 155.11 0.12 Allowed 'General case' 0 C--N 1.367 1.337 0 C-N-CA 130.47 3.508 . . . . 0.0 114.907 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.6 mt -92.05 -6.21 51.44 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 126.264 1.826 . . . . 0.0 112.418 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -89.85 -18.47 26.14 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 129.674 3.19 . . . . 0.0 111.149 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.7 m -83.26 111.79 33.79 Favored Pre-proline 0 C--N 1.364 1.196 0 C-N-CA 128.655 2.782 . . . . 0.0 109.328 176.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -73.3 139.29 28.87 Favored 'Trans proline' 0 C--N 1.367 1.539 0 C-N-CA 124.994 3.796 . . . . 0.0 112.79 -177.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.3 mp -54.6 133.91 17.81 Favored 'Isoleucine or valine' 0 C--N 1.372 1.578 0 C-N-CA 127.126 2.171 . . . . 0.0 115.524 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -150.44 -172.76 19.99 Favored Glycine 0 C--N 1.356 1.653 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -114.53 155.29 26.72 Favored 'General case' 0 C--N 1.362 1.127 0 CA-C-O 124.168 1.937 . . . . 0.0 111.485 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . 0.281 2.6 t30 -123.7 119.13 28.89 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 102.51 -3.144 . . . . 0.0 102.51 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.424 ' HB ' ' CG2' ' A' ' 133' ' ' ILE . 3.6 mp -140.51 146.78 23.86 Favored 'Isoleucine or valine' 0 C--N 1.361 1.098 0 O-C-N 119.725 -1.859 . . . . 0.0 111.069 -172.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.01 140.3 48.89 Favored 'General case' 0 C--N 1.365 1.266 0 C-N-CA 125.07 1.348 . . . . 0.0 107.529 163.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.0 t -139.45 148.18 55.42 Favored Pre-proline 0 C--N 1.362 1.14 0 N-CA-C 103.286 -2.857 . . . . 0.0 103.286 170.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -64.16 126.57 17.38 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 125.084 3.856 . . . . 0.0 110.433 172.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.298 0.6 OUTLIER 34.76 13.88 0.0 OUTLIER 'General case' 0 C--N 1.356 0.857 2 C-N-CA 134.332 5.053 . . . . 0.0 122.794 -176.248 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -104.24 122.94 46.42 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 119.947 -1.721 . . . . 0.0 111.966 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -96.7 25.77 4.97 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 126.445 1.898 . . . . 0.0 112.212 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -94.07 -49.64 5.68 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 116.384 -1.77 . . . . 0.0 112.39 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . 0.317 1.3 pt 15.25 -87.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.381 1.957 1 C-N-CA 132.203 4.201 . . . . 0.0 120.124 170.299 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -135.76 113.23 10.74 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 122.538 1.161 . . . . 0.0 108.366 168.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -142.09 -73.52 0.31 Allowed 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 104.162 -2.533 . . . . 0.0 104.162 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -128.75 66.19 1.42 Allowed 'General case' 0 C--N 1.358 0.967 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 171.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . 0.315 17.8 ptp -155.25 156.85 36.32 Favored 'General case' 0 C--N 1.364 1.198 0 N-CA-C 120.565 3.543 . . . . 0.0 120.565 -177.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -93.96 101.55 13.61 Favored 'General case' 0 C--N 1.358 0.975 1 C-N-CA 131.903 4.081 . . . . 0.0 105.632 -179.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 1.5 p -107.0 137.58 37.16 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.258 0 CA-C-O 122.534 1.159 . . . . 0.0 108.722 -175.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 48.5 mt -103.89 105.37 18.29 Favored 'Isoleucine or valine' 0 C--N 1.363 1.182 0 N-CA-C 103.767 -2.679 . . . . 0.0 103.767 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -99.16 111.76 24.07 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 126.2 1.8 . . . . 0.0 107.116 173.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 52.39 32.96 12.02 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 117.674 2.472 . . . . 0.0 117.674 175.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.83 3.96 65.64 Favored Glycine 0 C--N 1.359 1.816 0 C-N-CA 127.244 2.354 . . . . 0.0 116.236 -174.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -109.1 122.81 48.07 Favored 'General case' 0 C--N 1.361 1.087 0 CA-C-N 119.806 1.803 . . . . 0.0 110.651 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.2 mp -86.06 105.65 14.77 Favored 'Isoleucine or valine' 0 C--N 1.372 1.549 0 C-N-CA 125.404 1.482 . . . . 0.0 108.822 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.7 162.98 36.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 -168.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . 0.689 14.7 t 71.49 -89.75 0.03 OUTLIER 'General case' 0 C--N 1.378 1.818 2 N-CA-C 128.016 6.302 . . . . 0.0 128.016 168.018 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . 0.671 3.1 m-85 103.56 -74.34 0.0 OUTLIER 'General case' 0 C--N 1.374 1.65 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 -170.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 32.6 pt -104.6 144.17 14.99 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 N-CA-C 117.75 2.5 . . . . 0.0 117.75 -172.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -170.94 -179.26 42.04 Favored Glycine 0 C--N 1.361 1.925 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 173.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -127.97 101.44 22.93 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 126.092 1.757 . . . . 0.0 109.855 176.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -78.88 137.49 14.03 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 124.871 3.714 . . . . 0.0 114.842 -178.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.1 t -125.36 121.49 60.59 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 C-N-CA 127.224 2.21 . . . . 0.0 108.965 -177.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -87.73 108.92 19.35 Favored 'General case' 0 C--N 1.361 1.105 0 O-C-N 120.56 -1.337 . . . . 0.0 110.443 176.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.49 -36.16 24.32 Favored 'General case' 0 C--N 1.366 1.317 0 O-C-N 120.495 -1.378 . . . . 0.0 111.902 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.2 t 68.59 -61.37 0.41 Allowed 'General case' 0 C--N 1.36 1.022 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -74.53 48.0 1.82 Allowed Glycine 0 C--N 1.366 2.215 0 C-N-CA 126.564 2.031 . . . . 0.0 116.052 176.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 23.3 tp -158.92 47.64 0.32 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . 0.298 6.4 mm100 73.44 33.31 1.11 Allowed 'General case' 0 C--N 1.36 1.028 0 C-N-CA 129.535 3.134 . . . . 0.0 117.255 178.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . 0.263 6.9 mp0 72.83 46.77 0.24 Allowed 'General case' 0 C--N 1.368 1.386 0 C-N-CA 128.548 2.739 . . . . 0.0 112.416 178.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.7 pp -107.75 142.67 19.86 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 CA-C-O 123.343 1.544 . . . . 0.0 113.562 -176.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 71.4 m -112.24 132.31 55.0 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 128.165 2.586 . . . . 0.0 107.954 173.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -124.46 138.85 54.31 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 126.88 2.072 . . . . 0.0 111.889 -173.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.424 ' CG2' ' HB ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -134.23 143.95 36.69 Favored 'Isoleucine or valine' 0 C--N 1.358 0.937 0 O-C-N 120.182 -1.574 . . . . 0.0 109.768 174.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -126.49 108.15 10.9 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 106.238 -1.764 . . . . 0.0 106.238 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -117.4 144.25 18.23 Favored Glycine 0 C--N 1.358 1.782 0 C-N-CA 125.269 1.414 . . . . 0.0 113.796 -176.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -133.78 151.89 51.71 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 129.162 2.985 . . . . 0.0 104.329 177.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -94.03 149.16 21.49 Favored 'General case' 0 C--N 1.363 1.167 0 O-C-N 120.86 -1.15 . . . . 0.0 111.588 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 83.85 79.28 0.02 OUTLIER 'General case' 0 C--N 1.363 1.178 0 C-N-CA 128.875 2.87 . . . . 0.0 110.821 -174.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -67.58 54.01 0.33 Allowed Glycine 0 C--N 1.361 1.965 0 N-CA-C 121.241 3.256 . . . . 0.0 121.241 -168.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -96.66 2.68 52.41 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 127.024 2.13 . . . . 0.0 110.631 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -82.05 34.54 0.41 Allowed 'General case' 0 C--N 1.358 0.975 0 C-N-CA 129.847 3.259 . . . . 0.0 113.663 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.1 t -101.31 60.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.965 0 C-N-CA 127.529 2.332 . . . . 0.0 108.662 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 1.797 0 C-N-CA 125.621 1.581 . . . . 0.0 113.155 -178.692 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.439 -0.99 0 CA-C-O 122.091 0.948 . . . . 0.0 108.769 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -64.48 51.11 0.02 OUTLIER 'General case' 0 C--N 1.355 0.827 0 C-N-CA 130.227 3.411 . . . . 0.0 118.533 -175.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 73.93 86.46 0.1 Allowed 'General case' 0 C--N 1.36 1.039 0 C-N-CA 129.041 2.936 . . . . 0.0 115.347 176.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.03 65.34 0.75 Allowed 'General case' 0 C--N 1.355 0.844 0 CA-C-O 123.936 1.827 . . . . 0.0 109.333 178.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -133.31 34.93 3.49 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 126.296 1.839 . . . . 0.0 107.369 174.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -126.95 61.9 1.34 Allowed 'General case' 0 C--N 1.359 1.018 0 O-C-N 120.775 -1.203 . . . . 0.0 113.39 -175.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -148.92 170.54 18.07 Favored 'General case' 0 C--N 1.362 1.145 0 O-C-N 119.408 -2.058 . . . . 0.0 110.447 176.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.3 t -97.62 128.17 49.22 Favored 'Isoleucine or valine' 0 C--N 1.364 1.208 0 C-N-CA 128.008 2.523 . . . . 0.0 107.573 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.9 pt -132.11 168.21 24.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 O-C-N 118.957 -2.34 . . . . 0.0 111.823 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.8 m -113.29 124.3 52.17 Favored 'General case' 0 C--N 1.378 1.823 0 C-N-CA 125.194 1.397 . . . . 0.0 110.775 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -105.97 136.92 44.78 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 123.697 0.799 . . . . 0.0 113.136 176.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -132.62 162.98 29.92 Favored 'General case' 0 C--N 1.373 1.596 0 C-N-CA 127.444 2.297 . . . . 0.0 109.674 -177.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.6 t -141.6 161.21 38.48 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 125.508 1.523 . . . . 0.0 108.79 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -121.29 124.74 45.34 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 128.535 2.734 . . . . 0.0 105.757 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.2 p -145.23 151.17 15.29 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 O-C-N 120.759 -1.213 . . . . 0.0 108.002 -172.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.281 28.6 tt0 91.75 76.79 0.0 OUTLIER 'General case' 0 C--N 1.368 1.377 0 C-N-CA 126.984 2.114 . . . . 0.0 114.961 176.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.17 64.46 5.92 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 127.231 2.212 . . . . 0.0 111.519 178.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.6 t -112.67 133.8 54.52 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 126.072 1.749 . . . . 0.0 110.798 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . 0.264 17.4 p-10 -94.18 159.73 15.01 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 119.775 -1.828 . . . . 0.0 112.597 173.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -124.39 45.07 1.2 Allowed Glycine 0 C--N 1.36 1.896 0 C-N-CA 127.2 2.334 . . . . 0.0 108.92 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.259 31.5 tt0 87.67 -105.12 0.01 OUTLIER 'General case' 0 C--N 1.358 0.941 0 C-N-CA 129.389 3.076 . . . . 0.0 109.701 -177.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.27 53.0 0.81 Allowed Glycine 0 C--N 1.367 2.278 0 C-N-CA 126.373 1.939 . . . . 0.0 110.696 173.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.64 167.74 40.12 Favored Glycine 0 C--N 1.354 1.539 0 N-CA-C 104.816 -3.314 . . . . 0.0 104.816 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -133.65 145.84 50.33 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 120.104 -1.821 . . . . 0.0 112.787 -174.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.8 p -119.64 104.69 10.49 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 125.644 1.578 . . . . 0.0 108.857 -178.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -127.61 166.38 18.17 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 125.473 1.509 . . . . 0.0 108.066 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -124.24 139.02 54.31 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.802 1.241 . . . . 0.0 109.606 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -114.22 128.92 56.59 Favored 'General case' 0 C--N 1.361 1.095 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 174.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.5 p -143.59 157.31 16.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 C-N-CA 123.695 0.798 . . . . 0.0 108.955 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -95.61 135.03 37.8 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 127.113 2.165 . . . . 0.0 108.053 175.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -88.07 -56.07 3.49 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 126.172 1.789 . . . . 0.0 111.544 -175.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.446 ' CZ ' ' HB3' ' A' ' 101' ' ' ARG . 36.9 p90 -167.69 172.84 8.93 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -175.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 m -131.44 132.5 44.36 Favored 'General case' 0 CA--C 1.505 -0.774 1 N-CA-C 99.566 -4.235 . . . . 0.0 99.566 171.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.26 165.41 35.97 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 121.848 0.832 . . . . 0.0 112.917 -175.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.77 114.24 20.28 Favored 'General case' 0 C--N 1.367 1.332 0 CA-C-O 122.448 1.118 . . . . 0.0 108.744 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.7 170.02 2.45 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 105.488 -2.042 . . . . 0.0 105.488 -172.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.01 128.53 16.02 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 171.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.402 HG21 HG23 ' A' ' 108' ' ' VAL . 91.4 t -105.8 99.22 8.05 Favored 'Isoleucine or valine' 0 C--N 1.37 1.475 0 C-N-CA 127.307 2.243 . . . . 0.0 106.316 177.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -102.96 129.59 25.35 Favored Pre-proline 0 C--N 1.362 1.127 0 O-C-N 120.132 -1.605 . . . . 0.0 112.966 -175.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -72.06 141.68 36.85 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 124.744 3.629 . . . . 0.0 112.595 173.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.6 pt -79.34 58.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.248 0 O-C-N 119.828 -1.795 . . . . 0.0 114.403 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 t -173.89 -152.13 0.05 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 -178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -132.25 -136.03 0.19 Allowed 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.723 -1.236 . . . . 0.0 111.584 -177.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -91.74 -28.29 17.5 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 127.059 2.144 . . . . 0.0 113.915 -174.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -105.38 80.3 1.57 Allowed 'General case' 0 C--N 1.356 0.87 0 C-N-CA 125.845 1.658 . . . . 0.0 107.449 177.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -91.28 -39.05 12.28 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 126.593 1.957 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.0 t80 87.42 -115.93 0.01 OUTLIER 'General case' 0 C--N 1.369 1.43 0 C-N-CA 130.071 3.348 . . . . 0.0 111.464 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -125.58 -97.44 0.42 Allowed 'General case' 0 C--N 1.35 0.621 0 N-CA-C 104.55 -2.389 . . . . 0.0 104.55 175.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.81 -45.21 5.81 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 122.356 1.075 . . . . 0.0 108.941 172.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? 86.19 -71.92 0.02 OUTLIER 'General case' 0 C--N 1.358 0.976 0 C-N-CA 127.893 2.477 . . . . 0.0 108.532 -177.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -141.68 -167.01 2.33 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 126.461 1.904 . . . . 0.0 107.864 176.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.6 tp -93.87 -5.25 48.42 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 126.48 1.912 . . . . 0.0 115.013 -174.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -124.17 95.23 4.47 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 102.178 -3.267 . . . . 0.0 102.178 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.1 t -155.03 150.19 20.81 Favored Pre-proline 0 C--N 1.35 0.6 0 O-C-N 120.251 -1.531 . . . . 0.0 109.354 -169.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -78.11 124.34 6.61 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 123.972 3.115 . . . . 0.0 111.655 175.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 5.7 tp -151.14 74.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.628 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -179.72 -175.83 46.79 Favored Glycine 0 C--N 1.35 1.337 0 O-C-N 120.017 -1.677 . . . . 0.0 112.171 -176.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -121.29 153.1 38.14 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 126.583 1.953 . . . . 0.0 114.231 -177.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -122.36 120.33 33.69 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 101.483 -3.525 . . . . 0.0 101.483 169.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -147.44 143.15 19.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 O-C-N 119.494 -2.003 . . . . 0.0 112.302 -171.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.17 141.52 48.41 Favored 'General case' 0 C--N 1.377 1.796 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 172.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.7 m -139.3 147.66 53.8 Favored Pre-proline 0 C--N 1.352 0.689 0 N-CA-C 102.886 -3.005 . . . . 0.0 102.886 167.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.96 135.52 17.46 Favored 'Trans proline' 0 C--N 1.357 0.985 0 CA-C-N 126.297 3.285 . . . . 0.0 110.715 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 19.04 -10.62 0.0 OUTLIER 'General case' 0 C--N 1.359 0.998 2 C-N-CA 138.543 6.737 . . . . 0.0 123.855 -177.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -104.44 157.75 16.94 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 128.905 2.882 . . . . 0.0 111.821 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -96.43 66.06 2.36 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 120.417 -1.427 . . . . 0.0 108.747 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 59.4 mtt180 -76.47 -49.39 16.7 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 124.469 1.108 . . . . 0.0 112.632 -177.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.01 151.87 7.08 Favored 'Isoleucine or valine' 0 C--N 1.366 1.315 0 C-N-CA 130.791 3.636 . . . . 0.0 115.268 165.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -135.99 -178.92 5.36 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -175.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -82.92 -23.5 33.5 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 130.251 3.42 . . . . 0.0 114.822 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -139.65 82.25 1.87 Allowed 'General case' 0 C--N 1.347 0.494 0 N-CA-C 104.875 -2.268 . . . . 0.0 104.875 177.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -144.55 168.65 19.63 Favored 'General case' 0 C--N 1.363 1.154 0 CA-C-O 122.869 1.318 . . . . 0.0 110.766 -172.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -127.89 150.98 49.63 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.402 HG23 HG21 ' A' ' 72' ' ' VAL . 7.3 p -143.13 149.53 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 CA-C-O 123.176 1.465 . . . . 0.0 109.521 -178.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 58.1 mt -108.49 104.06 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 N-CA-C 101.661 -3.459 . . . . 0.0 101.661 165.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -95.17 103.19 15.04 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 130.057 3.343 . . . . 0.0 107.543 173.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . 0.363 17.6 ptm180 44.08 40.43 3.45 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 129.605 3.162 . . . . 0.0 118.168 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.18 6.28 63.19 Favored Glycine 0 C--N 1.36 1.914 0 C-N-CA 127.534 2.492 . . . . 0.0 116.463 -176.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -108.45 125.41 51.74 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 119.655 1.728 . . . . 0.0 109.019 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 18.8 mt -97.37 106.67 18.87 Favored 'Isoleucine or valine' 0 C--N 1.367 1.365 0 C-N-CA 124.507 1.123 . . . . 0.0 109.911 -178.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.5 m -132.53 160.76 42.35 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 C-N-CA 125.573 1.549 . . . . 0.0 111.318 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.8 151.54 19.55 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 129.788 3.235 . . . . 0.0 108.535 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -149.5 160.8 43.16 Favored 'General case' 0 C--N 1.37 1.48 0 CA-C-N 118.666 0.666 . . . . 0.0 112.424 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -133.16 170.94 18.98 Favored 'Isoleucine or valine' 0 C--N 1.374 1.655 0 C-N-CA 127.675 2.39 . . . . 0.0 108.818 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 126.19 157.79 9.69 Favored Glycine 0 C--N 1.367 2.275 0 O-C-N 120.654 -1.279 . . . . 0.0 114.917 171.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -103.35 123.87 40.17 Favored Pre-proline 0 C--N 1.359 1.014 0 C-N-CA 125.937 1.695 . . . . 0.0 111.153 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.9 132.35 10.6 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.73 3.62 . . . . 0.0 113.35 175.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.4 p -132.93 144.14 37.45 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 C-N-CA 124.803 1.241 . . . . 0.0 109.477 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -101.71 102.14 12.76 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 125.949 1.7 . . . . 0.0 111.51 173.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.09 -3.13 54.06 Favored 'General case' 0 C--N 1.371 1.523 0 O-C-N 119.373 -2.079 . . . . 0.0 111.758 176.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 48.5 m -159.62 105.26 1.63 Allowed 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.812 2.045 . . . . 0.0 108.907 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -88.59 9.87 74.18 Favored Glycine 0 C--N 1.367 2.259 0 C-N-CA 127.189 2.328 . . . . 0.0 114.484 176.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.0 mt -100.08 -30.15 12.11 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 130.021 3.328 . . . . 0.0 110.299 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -85.07 -19.22 32.25 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 126.825 2.05 . . . . 0.0 113.747 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 72.53 39.21 0.73 Allowed 'General case' 0 C--N 1.368 1.413 0 C-N-CA 129.064 2.946 . . . . 0.0 113.845 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.0 tt -128.97 125.31 62.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 O-C-N 120.058 -1.652 . . . . 0.0 110.927 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.26 117.08 31.84 Favored 'General case' 0 C--N 1.37 1.494 0 N-CA-C 103.573 -2.751 . . . . 0.0 103.573 166.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.93 137.08 51.85 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 125.178 1.391 . . . . 0.0 108.94 -176.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.92 136.5 58.78 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -178.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -128.0 116.39 19.97 Favored 'General case' 0 N--CA 1.443 -0.799 1 N-CA-C 99.369 -4.308 . . . . 0.0 99.369 170.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.21 131.65 4.17 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 109.521 -1.431 . . . . 0.0 109.521 -176.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -145.63 168.72 19.98 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 117.983 0.892 . . . . 0.0 110.253 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -96.18 129.55 43.46 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 125.779 1.632 . . . . 0.0 109.548 175.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -102.83 66.19 0.92 Allowed 'General case' 0 C--N 1.356 0.885 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -173.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 61.34 -78.82 0.02 OUTLIER Glycine 0 C--N 1.361 1.939 0 C-N-CA 128.859 3.123 . . . . 0.0 118.556 172.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.36 52.08 0.75 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 128.52 2.728 . . . . 0.0 115.133 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -146.93 -44.67 0.18 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 127.14 2.176 . . . . 0.0 105.712 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 10.6 p -93.49 -37.57 8.57 Favored 'Isoleucine or valine' 0 C--N 1.365 1.262 0 C-N-CA 125.376 1.47 . . . . 0.0 112.097 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 1.854 0 O-C-N 120.733 -1.229 . . . . 0.0 111.455 178.619 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.442 -0.832 0 CA-C-O 121.951 0.881 . . . . 0.0 109.048 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -122.07 128.01 50.86 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 125.495 1.518 . . . . 0.0 107.488 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -89.44 72.35 7.97 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 124.881 1.273 . . . . 0.0 110.621 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -93.95 -39.61 10.57 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.666 1.586 . . . . 0.0 111.461 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -164.2 -175.93 4.21 Favored 'General case' 0 C--N 1.362 1.136 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 177.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -82.59 -23.36 34.43 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 129.06 2.944 . . . . 0.0 114.02 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -135.78 154.59 51.17 Favored 'General case' 0 C--N 1.366 1.296 0 O-C-N 120.037 -1.664 . . . . 0.0 111.375 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 m -101.76 138.92 24.31 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 C-N-CA 127.334 2.254 . . . . 0.0 106.11 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.73 170.57 19.58 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 O-C-N 119.995 -1.691 . . . . 0.0 110.683 -176.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.4 m -119.29 123.63 44.7 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 121.254 -0.904 . . . . 0.0 113.373 -174.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.46 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 99.0 m-85 -104.19 133.58 48.88 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 124.042 0.937 . . . . 0.0 112.536 175.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -142.72 145.58 33.49 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 127.215 2.206 . . . . 0.0 109.583 -175.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.8 p -136.02 168.34 19.54 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 119.77 -1.831 . . . . 0.0 113.074 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -114.6 130.22 56.76 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 128.318 2.647 . . . . 0.0 108.249 -177.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.69 143.43 33.79 Favored 'Isoleucine or valine' 0 C--N 1.361 1.101 0 C-N-CA 125.866 1.666 . . . . 0.0 109.256 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -117.74 -29.32 5.75 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 127.164 2.186 . . . . 0.0 112.374 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -81.46 40.93 0.59 Allowed 'General case' 0 C--N 1.367 1.356 0 O-C-N 118.705 -2.497 . . . . 0.0 113.65 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.2 m -109.22 -62.02 1.54 Allowed 'General case' 0 C--N 1.353 0.726 0 C-N-CA 130.564 3.545 . . . . 0.0 110.281 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -93.4 73.18 4.48 Favored 'General case' 0 C--N 1.364 1.225 0 O-C-N 120.383 -1.448 . . . . 0.0 113.489 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -93.71 62.35 1.96 Allowed Glycine 0 C--N 1.352 1.454 0 O-C-N 120.492 -1.38 . . . . 0.0 113.066 171.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -148.03 108.36 4.11 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -178.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.47 -60.52 4.52 Favored Glycine 0 C--N 1.364 2.132 0 C-N-CA 125.598 1.571 . . . . 0.0 113.706 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -153.68 172.75 32.45 Favored Glycine 0 C--N 1.347 1.182 0 N-CA-C 104.751 -3.34 . . . . 0.0 104.751 176.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -104.94 154.46 20.06 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 118.658 1.229 . . . . 0.0 113.433 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.2 t -154.92 173.45 16.5 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 173.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -123.07 161.79 23.67 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 126.491 1.916 . . . . 0.0 110.792 -178.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -143.79 161.05 39.61 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.106 1.363 . . . . 0.0 110.01 177.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -109.47 131.64 54.88 Favored 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 129.447 3.099 . . . . 0.0 104.891 171.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.8 p -142.32 159.65 19.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -82.82 141.04 32.6 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 126.431 1.892 . . . . 0.0 109.781 176.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -95.36 -57.79 2.31 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.11 0.964 . . . . 0.0 110.527 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.46 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 14.2 p90 -162.18 171.39 17.47 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -177.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 p -132.61 133.52 43.74 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 101.91 -3.367 . . . . 0.0 101.91 175.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.15 164.34 34.2 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -177.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.69 117.03 29.74 Favored 'General case' 0 C--N 1.366 1.321 0 N-CA-C 104.795 -2.298 . . . . 0.0 104.795 172.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -174.5 154.76 2.13 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 -167.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -108.21 107.16 17.66 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.267 1.0 OUTLIER -128.67 112.63 26.72 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 N-CA-C 100.585 -3.858 . . . . 0.0 100.585 -178.258 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -140.09 146.94 48.53 Favored Pre-proline 0 C--N 1.361 1.087 0 O-C-N 120.794 -1.191 . . . . 0.0 110.396 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -71.56 155.06 59.84 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 124.352 3.368 . . . . 0.0 113.251 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.46 25.3 pt 60.45 130.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.03 0 N-CA-C 119.575 3.176 . . . . 0.0 119.575 177.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 t -112.37 152.8 28.19 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 125.805 1.642 . . . . 0.0 112.044 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.08 10.89 10.14 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 126.493 1.917 . . . . 0.0 109.898 174.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -92.01 -9.01 44.41 Favored 'General case' 0 C--N 1.365 1.266 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 -173.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -104.54 77.88 1.42 Allowed 'General case' 0 C--N 1.36 1.023 0 C-N-CA 126.123 1.769 . . . . 0.0 108.917 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -96.63 -5.71 38.38 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 126.877 2.071 . . . . 0.0 114.624 -176.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -86.8 -26.82 23.91 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 125.565 1.546 . . . . 0.0 112.054 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -160.08 134.83 7.74 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 100.774 -3.788 . . . . 0.0 100.774 176.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.0 23.56 3.15 Favored 'General case' 0 C--N 1.362 1.117 0 N-CA-C 115.96 1.837 . . . . 0.0 115.96 -174.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -164.85 167.54 18.63 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 177.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -109.86 -21.92 12.13 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 127.014 2.126 . . . . 0.0 114.334 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.1 mt -157.64 167.32 30.44 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 102.976 -2.972 . . . . 0.0 102.976 -175.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -81.32 55.77 2.68 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.03 1.732 . . . . 0.0 114.42 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.4 p -158.75 114.9 1.66 Allowed Pre-proline 0 C--N 1.359 0.993 0 CA-C-O 115.966 -1.969 . . . . 0.0 106.802 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.59 129.25 8.25 Favored 'Trans proline' 0 CA--C 1.549 1.257 0 C-N-CA 125.137 3.891 . . . . 0.0 114.961 -177.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.6 tp -175.99 123.42 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.366 1.31 0 C-N-CA 126.728 2.011 . . . . 0.0 107.524 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -147.26 141.76 9.64 Favored Glycine 0 C--N 1.367 2.255 0 O-C-N 118.646 -2.534 . . . . 0.0 115.175 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -138.98 155.34 48.08 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -118.76 119.04 33.22 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 103.511 -2.774 . . . . 0.0 103.511 169.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.5 pp -139.03 131.26 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.07 114.68 19.38 Favored 'General case' 0 C--N 1.363 1.173 1 N-CA-C 96.755 -5.276 . . . . 0.0 96.755 165.698 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 53.6 m -138.28 109.28 8.17 Favored Pre-proline 0 C--N 1.349 0.58 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 -175.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -60.54 130.26 32.86 Favored 'Trans proline' 0 C--N 1.369 1.628 1 C-N-CA 125.685 4.257 . . . . 0.0 113.571 -176.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.393 0.4 OUTLIER 21.58 17.04 0.0 OUTLIER 'General case' 0 C--N 1.358 0.974 2 C-N-CA 135.349 5.459 . . . . 0.0 123.944 -173.484 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -104.08 110.31 22.44 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 129.478 3.111 . . . . 0.0 106.814 173.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -97.93 22.48 9.22 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 124.929 1.292 . . . . 0.0 113.455 -176.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -102.78 1.91 34.85 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -175.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -52.89 -58.52 2.68 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 1 C-N-CA 131.913 4.085 . . . . 0.0 114.189 178.648 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -129.59 112.95 14.23 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 126.912 2.085 . . . . 0.0 106.22 173.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -169.74 40.59 0.03 OUTLIER 'General case' 0 C--N 1.349 0.553 0 N-CA-C 103.935 -2.617 . . . . 0.0 103.935 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 50.8 tptt 71.42 75.31 0.18 Allowed 'General case' 0 C--N 1.366 1.31 0 C-N-CA 128.611 2.764 . . . . 0.0 111.768 -175.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.0 mtt -147.45 -177.72 5.85 Favored 'General case' 0 C--N 1.365 1.257 0 CA-C-O 122.597 1.189 . . . . 0.0 109.557 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -124.86 143.93 50.58 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 127.0 2.12 . . . . 0.0 106.203 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.9 p -146.39 146.38 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 O-C-N 120.13 -1.607 . . . . 0.0 108.63 -173.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.6 tt -121.26 107.97 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.529 0 N-CA-C 105.121 -2.177 . . . . 0.0 105.121 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.88 88.67 5.38 Favored 'General case' 0 C--N 1.386 2.152 0 C-N-CA 126.852 2.061 . . . . 0.0 109.212 176.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 62.07 41.31 11.11 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 127.343 2.257 . . . . 0.0 115.77 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.82 9.86 60.66 Favored Glycine 0 C--N 1.364 2.108 0 N-CA-C 117.704 1.842 . . . . 0.0 117.704 -178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -115.91 121.4 42.21 Favored 'General case' 0 C--N 1.36 1.05 0 CA-C-N 120.197 1.999 . . . . 0.0 107.193 177.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 15.2 tt -112.38 117.98 56.63 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 N-CA-C 115.019 1.488 . . . . 0.0 115.019 -172.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.0 t -132.95 162.22 40.36 Favored 'Isoleucine or valine' 0 C--N 1.373 1.616 0 C-N-CA 125.956 1.702 . . . . 0.0 109.058 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.6 t -118.72 137.85 53.05 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.11 1.764 . . . . 0.0 107.725 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -152.37 152.27 31.85 Favored 'General case' 0 C--N 1.362 1.134 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -174.073 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.0 142.14 42.84 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 C-N-CA 124.979 1.311 . . . . 0.0 108.052 175.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 176.84 -168.86 41.05 Favored Glycine 0 C--N 1.362 2.015 0 N-CA-C 106.866 -2.493 . . . . 0.0 106.866 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -150.91 127.01 5.06 Favored Pre-proline 0 C--N 1.37 1.46 0 CA-C-O 116.707 -1.616 . . . . 0.0 108.245 177.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -87.07 158.35 8.54 Favored 'Trans proline' 0 CA--C 1.553 1.449 1 C-N-CA 125.673 4.249 . . . . 0.0 112.552 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.6 t -100.29 135.77 34.65 Favored 'Isoleucine or valine' 0 C--N 1.361 1.067 0 C-N-CA 127.962 2.505 . . . . 0.0 109.289 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -101.56 126.73 48.42 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.6 tp -93.72 -20.24 20.32 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.149 2.18 . . . . 0.0 110.904 173.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . 0.321 66.5 m 50.11 -122.56 1.86 Allowed 'General case' 0 C--N 1.363 1.188 0 N-CA-C 119.55 3.167 . . . . 0.0 119.55 175.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -72.91 51.22 1.57 Allowed Glycine 0 C--N 1.368 2.356 0 N-CA-C 119.017 2.367 . . . . 0.0 119.017 -169.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.1 mt -131.73 -81.18 0.51 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 128.114 2.565 . . . . 0.0 106.28 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -100.26 -20.56 15.84 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 124.835 1.254 . . . . 0.0 111.823 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 75.12 59.04 0.06 Allowed 'General case' 0 C--N 1.366 1.293 0 C-N-CA 128.43 2.692 . . . . 0.0 111.539 -176.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.422 HD13 HH21 ' A' ' 132' ' ' ARG . 19.4 tt -126.93 134.98 64.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 123.736 1.731 . . . . 0.0 113.263 -174.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.3 114.69 27.03 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 128.834 2.854 . . . . 0.0 104.903 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.422 HH21 HD13 ' A' ' 130' ' ' ILE . 29.1 ttm180 -125.79 138.26 53.83 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 125.77 1.628 . . . . 0.0 114.685 -172.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -127.77 128.57 69.48 Favored 'Isoleucine or valine' 0 C--N 1.366 1.297 0 N-CA-C 103.056 -2.942 . . . . 0.0 103.056 165.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -129.63 107.55 9.53 Favored 'General case' 0 C--N 1.362 1.149 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 168.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -124.67 156.06 18.58 Favored Glycine 0 C--N 1.357 1.735 0 O-C-N 120.404 -1.435 . . . . 0.0 110.553 -177.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -126.55 145.29 50.59 Favored 'General case' 0 C--N 1.364 1.234 0 CA-C-N 119.693 1.747 . . . . 0.0 112.495 -174.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -109.16 109.6 20.61 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 129.033 2.933 . . . . 0.0 110.676 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -85.72 76.0 10.01 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 125.146 1.378 . . . . 0.0 110.046 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 171.32 -148.0 10.77 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 108.148 -1.981 . . . . 0.0 108.148 -177.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -146.07 132.32 19.49 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 121.349 -1.089 . . . . 0.0 108.182 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -176.13 -179.44 1.12 Allowed 'General case' 0 C--N 1.359 0.985 0 N-CA-C 103.376 -2.824 . . . . 0.0 103.376 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . 0.352 11.7 m 52.43 -41.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.355 1 N-CA-C 122.259 4.17 . . . . 0.0 122.259 175.809 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.547 0 C-N-CA 125.102 1.334 . . . . 0.0 110.074 -176.615 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 CA--C 1.505 -0.783 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 m -96.88 114.67 34.39 Favored 'Isoleucine or valine' 0 C--N 1.367 1.359 0 CA-C-O 125.461 2.553 . . . . 0.0 104.514 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 70' ' ' ALA . 10.5 pt -132.43 158.5 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 112.323 -2.217 . . . . 0.0 107.836 -171.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.9 m -116.68 122.56 44.9 Favored 'General case' 0 C--N 1.365 1.268 0 CA-C-O 122.71 1.243 . . . . 0.0 110.633 -174.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -94.58 123.66 38.15 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 126.965 2.106 . . . . 0.0 109.96 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -135.15 173.05 12.15 Favored 'General case' 0 C--N 1.375 1.713 0 CA-C-O 122.615 1.198 . . . . 0.0 107.879 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.1 m -122.89 137.8 54.84 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 126.265 1.826 . . . . 0.0 111.805 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 18.2 t80 . . . . . 0 C--N 1.352 0.706 1 N-CA-C 100.023 -4.066 . . . . 0.0 100.023 167.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 85.6 m95 . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 120.57 0.224 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.37 160.74 17.11 Favored 'Isoleucine or valine' 0 C--N 1.368 1.387 0 C-N-CA 125.571 1.549 . . . . 0.0 107.613 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -103.63 139.57 38.74 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 126.065 1.746 . . . . 0.0 109.885 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -99.3 -60.71 1.48 Allowed 'General case' 0 C--N 1.367 1.345 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -173.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' A' ' 101' ' ' ARG . 17.6 p90 -164.83 172.81 12.46 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -178.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 p -129.98 133.46 46.8 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 104.306 -2.479 . . . . 0.0 104.306 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.94 164.16 35.36 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-O 123.344 1.545 . . . . 0.0 114.771 -176.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.22 112.7 24.32 Favored 'General case' 0 C--N 1.37 1.497 0 N-CA-C 102.869 -3.011 . . . . 0.0 102.869 167.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.403 ' HB3' HD11 ' A' ' 43' ' ' ILE . . . -157.23 169.26 25.16 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.562 -166.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -134.33 111.01 9.86 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.518 ' HA ' ' HB ' ' A' ' 94' ' ' ILE . 15.4 t -111.02 125.45 68.36 Favored 'Isoleucine or valine' 0 C--N 1.363 1.178 0 N-CA-C 101.259 -3.608 . . . . 0.0 101.259 171.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -133.51 138.74 31.91 Favored Pre-proline 0 C--N 1.364 1.199 0 CA-C-O 116.99 -1.481 . . . . 0.0 109.007 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.87 155.02 58.43 Favored 'Trans proline' 0 C--N 1.371 1.758 0 C-N-CA 124.953 3.769 . . . . 0.0 112.901 171.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.3 tt . . . . . 0 C--N 1.362 1.143 0 N-CA-C 117.812 2.523 . . . . 0.0 117.812 -178.793 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.89 0 CA-C-O 122.84 1.245 . . . . 0.0 112.402 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -127.01 147.97 50.12 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 123.702 1.715 . . . . 0.0 109.958 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -124.09 130.89 53.31 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 111.562 -2.563 . . . . 0.0 107.609 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.518 ' HB ' ' HA ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -143.11 147.24 20.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 O-C-N 119.795 -1.816 . . . . 0.0 111.748 -179.4 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -128.56 132.34 48.24 Favored 'General case' 0 C--N 1.369 1.443 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 169.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.7 m -139.01 143.1 35.64 Favored Pre-proline 0 C--N 1.359 1.012 0 N-CA-C 103.006 -2.961 . . . . 0.0 103.006 173.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.25 124.38 10.82 Favored 'Trans proline' 0 C--N 1.373 1.863 0 CA-C-N 125.854 3.126 . . . . 0.0 108.725 175.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.372 2.5 t80 32.12 19.35 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.975 1 C-N-CA 133.915 4.886 . . . . 0.0 120.765 -170.533 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -98.02 125.99 43.23 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 119.032 -2.292 . . . . 0.0 108.584 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.423 ' HA ' HD11 ' A' ' 133' ' ' ILE . 3.7 m-20 -112.75 13.37 19.79 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 126.359 1.864 . . . . 0.0 112.454 -174.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.436 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 18.9 tpt180 -102.04 -2.77 28.86 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 117.762 2.504 . . . . 0.0 117.762 -170.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.514 ' H ' HD12 ' A' ' 102' ' ' ILE . 3.2 mp -63.24 -69.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.733 0 C-N-CA 128.368 2.667 . . . . 0.0 114.495 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -106.57 111.35 23.87 Favored 'General case' 0 C--N 1.363 1.184 0 O-C-N 121.358 -0.839 . . . . 0.0 109.908 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.0 tptm 178.02 42.88 0.0 OUTLIER 'General case' 0 C--N 1.35 0.605 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.25 7.0 tmtm? 79.46 80.03 0.05 Allowed 'General case' 0 C--N 1.367 1.341 0 C-N-CA 127.996 2.518 . . . . 0.0 110.714 -175.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.8 mmt -147.77 173.24 12.99 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.615 -1.303 . . . . 0.0 108.542 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -138.88 98.37 3.53 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 104.826 -2.287 . . . . 0.0 104.826 176.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 m -108.13 158.84 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.72 0 O-C-N 116.825 -3.672 . . . . 0.0 112.024 -169.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.1 tt -117.18 107.19 21.68 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-O 123.681 1.705 . . . . 0.0 108.989 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.445 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 3.6 p90 -112.79 128.27 56.39 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.096 1.758 . . . . 0.0 108.043 175.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 46.1 32.19 1.35 Allowed 'General case' 0 C--N 1.367 1.338 0 C-N-CA 128.823 2.849 . . . . 0.0 118.063 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.6 0.2 73.03 Favored Glycine 0 C--N 1.359 1.842 0 C-N-CA 126.377 1.941 . . . . 0.0 116.471 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -106.09 124.91 50.32 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-N 119.9 1.85 . . . . 0.0 111.548 -176.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.56 117.33 42.09 Favored 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 125.028 1.331 . . . . 0.0 109.337 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.7 p -131.2 153.69 39.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 O-C-N 120.587 -1.321 . . . . 0.0 111.315 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.8 t -117.01 136.1 53.2 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 128.138 2.575 . . . . 0.0 107.848 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -168.89 153.05 5.55 Favored 'General case' 0 C--N 1.361 1.097 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -174.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.96 143.3 35.01 Favored 'Isoleucine or valine' 0 C--N 1.367 1.332 0 C-N-CA 125.601 1.56 . . . . 0.0 107.091 176.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.85 -162.93 13.73 Favored Glycine 0 C--N 1.365 2.192 0 O-C-N 119.835 -1.791 . . . . 0.0 114.033 -174.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -146.26 126.6 7.03 Favored Pre-proline 0 C--N 1.37 1.458 0 C-N-CA 125.659 1.584 . . . . 0.0 110.664 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -87.61 147.51 7.26 Favored 'Trans proline' 0 C--N 1.363 1.336 0 C-N-CA 124.468 3.445 . . . . 0.0 113.655 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.05 142.05 44.55 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 127.151 2.181 . . . . 0.0 105.885 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 . . . . . 0 C--N 1.364 1.212 0 O-C-N 118.47 -2.644 . . . . 0.0 108.77 175.72 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 CA--C 1.514 -0.42 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.4 mt -109.7 140.61 27.88 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 O-C-N 120.634 -1.291 . . . . 0.0 111.867 -176.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 51.7 m -108.28 135.19 50.02 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 128.282 2.633 . . . . 0.0 105.763 170.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -119.01 123.28 44.16 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 105.831 -1.915 . . . . 0.0 105.831 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.423 HD11 ' HA ' ' A' ' 100' ' ' ASP . 9.3 mt . . . . . 0 C--N 1.356 0.891 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 -174.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 . . . . . 0 CA--C 1.517 -0.293 0 N-CA-C 103.371 -2.825 . . . . 0.0 103.371 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -96.6 115.35 35.81 Favored 'Isoleucine or valine' 0 C--N 1.365 1.262 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.7 mm -111.92 140.73 30.09 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 C-N-CA 126.645 1.978 . . . . 0.0 106.922 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.7 m -105.54 120.71 42.32 Favored 'General case' 0 C--N 1.369 1.416 0 CA-C-N 119.352 0.978 . . . . 0.0 110.806 -174.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.496 ' CZ ' HG22 ' A' ' 102' ' ' ILE . 93.2 m-85 -112.79 135.71 53.23 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 116.582 2.067 . . . . 0.0 116.582 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -121.19 154.49 36.17 Favored 'General case' 0 C--N 1.384 2.102 0 C-N-CA 128.114 2.566 . . . . 0.0 112.653 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.8 p -123.81 162.3 23.5 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 124.738 1.215 . . . . 0.0 110.523 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.362 1.123 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 179.115 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.6 m95 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.0 m -133.8 161.8 40.45 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -72.59 122.59 21.62 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.386 2.275 . . . . 0.0 113.611 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -84.42 -45.11 13.05 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 129.136 2.974 . . . . 0.0 110.021 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 4.7 p90 -171.79 176.85 3.52 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.4 m -141.4 132.37 26.07 Favored 'General case' 0 CA--C 1.497 -1.062 1 N-CA-C 99.221 -4.363 . . . . 0.0 99.221 172.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.56 163.18 36.61 Favored 'General case' 0 CA--C 1.5 -0.967 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.73 113.38 20.35 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 125.321 1.448 . . . . 0.0 108.085 175.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -165.08 170.44 15.05 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.271 -167.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -119.63 107.73 13.61 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 102.043 -3.317 . . . . 0.0 102.043 171.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.563 HG13 HG13 ' A' ' 94' ' ' ILE . 3.6 t -126.96 98.82 4.96 Favored 'Isoleucine or valine' 0 C--N 1.361 1.084 1 N-CA-C 99.209 -4.367 . . . . 0.0 99.209 -175.32 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.68 163.02 53.73 Favored Pre-proline 0 C--N 1.379 1.849 0 C-N-CA 125.521 1.528 . . . . 0.0 111.246 -172.138 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -71.54 145.9 48.29 Favored 'Trans proline' 0 C--N 1.374 1.882 1 C-N-CA 125.593 4.196 . . . . 0.0 110.568 171.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 pt . . . . . 0 N--CA 1.493 1.715 1 N-CA-C 122.722 4.341 . . . . 0.0 122.722 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.484 -1.871 0 CA-C-O 121.587 0.548 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -122.2 143.58 49.49 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 122.919 1.342 . . . . 0.0 108.468 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -127.53 120.92 29.35 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 127.471 2.308 . . . . 0.0 105.338 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.563 HG13 HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -149.27 145.98 17.47 Favored 'Isoleucine or valine' 0 C--N 1.35 0.61 0 CA-C-O 122.458 1.123 . . . . 0.0 113.227 -170.83 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.309 0.9 OUTLIER -131.72 132.76 44.14 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 126.141 1.776 . . . . 0.0 107.47 166.439 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.0 t -139.55 146.04 46.27 Favored Pre-proline 0 C--N 1.371 1.512 0 N-CA-C 104.103 -2.555 . . . . 0.0 104.103 174.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.81 126.94 11.11 Favored 'Trans proline' 0 C--N 1.364 1.373 0 C-N-CA 124.999 3.799 . . . . 0.0 110.232 -178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.364 1.0 OUTLIER 46.46 -5.76 0.0 OUTLIER 'General case' 0 C--N 1.359 0.992 1 C-N-CA 132.344 4.257 . . . . 0.0 121.553 -175.789 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.77 125.96 35.12 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 119.308 -2.12 . . . . 0.0 112.656 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -110.92 24.82 12.46 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 127.317 2.247 . . . . 0.0 108.736 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.501 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 92.9 mtt180 -102.38 -12.35 17.96 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 117.588 2.44 . . . . 0.0 117.588 -171.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.496 HG22 ' CZ ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -47.41 -72.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.368 1.412 1 C-N-CA 132.22 4.208 . . . . 0.0 119.399 -177.693 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.493 ' H ' HG12 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -104.95 165.22 11.22 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 128.187 2.595 . . . . 0.0 109.666 179.066 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 118' ' ' ILE 0.339 47.2 tttm 103.0 77.23 0.0 OUTLIER 'General case' 0 C--N 1.372 1.545 0 C-N-CA 127.612 2.365 . . . . 0.0 111.796 176.068 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.9 tttt 81.23 21.71 0.36 Allowed 'General case' 0 C--N 1.371 1.509 0 C-N-CA 127.273 2.229 . . . . 0.0 110.032 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 24.7 mmt -109.47 165.78 11.39 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 120.637 -1.29 . . . . 0.0 112.385 -171.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -127.92 129.26 46.55 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.385 2.274 . . . . 0.0 105.159 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.514 HG11 ' CZ ' ' A' ' 117' ' ' PHE . 6.1 p -136.5 151.74 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-O 122.563 1.173 . . . . 0.0 110.021 -172.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 112' ' ' GLY . 4.1 mp -120.11 107.41 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 CA-C-N 112.819 -1.991 . . . . 0.0 107.005 174.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.11 101.56 13.32 Favored 'General case' 0 C--N 1.382 1.993 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 169.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 52.1 34.4 14.07 Favored 'General case' 0 C--N 1.367 1.361 0 N-CA-C 118.052 2.612 . . . . 0.0 118.052 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 109' ' ' ILE . . . 93.01 11.25 58.99 Favored Glycine 0 C--N 1.36 1.913 0 C-N-CA 125.433 1.492 . . . . 0.0 116.749 -173.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -105.95 115.42 30.19 Favored 'General case' 0 C--N 1.36 1.064 0 CA-C-N 119.667 1.734 . . . . 0.0 110.102 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.3 pt -94.11 112.8 27.54 Favored 'Isoleucine or valine' 0 C--N 1.366 1.321 0 C-N-CA 125.953 1.701 . . . . 0.0 114.157 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.4 t -131.77 155.86 42.05 Favored 'Isoleucine or valine' 0 C--N 1.365 1.276 0 C-N-CA 126.872 2.069 . . . . 0.0 108.5 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.9 t -127.7 141.61 51.55 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.514 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -162.72 172.72 14.86 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 117.316 2.339 . . . . 0.0 117.316 -164.494 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 104' ' ' LYS . 24.0 pt -124.75 173.2 11.22 Favored 'Isoleucine or valine' 0 C--N 1.372 1.546 0 C-N-CA 131.214 3.806 . . . . 0.0 110.09 177.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 163.16 -158.73 31.15 Favored Glycine 0 C--N 1.364 2.127 0 N-CA-C 107.536 -2.226 . . . . 0.0 107.536 -176.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -158.83 109.39 1.6 Allowed Pre-proline 0 C--N 1.363 1.168 0 C-N-CA 125.748 1.619 . . . . 0.0 110.117 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -88.36 146.25 6.17 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 125.0 3.8 . . . . 0.0 115.072 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.0 t -132.52 147.69 31.9 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 N-CA-C 103.329 -2.841 . . . . 0.0 103.329 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--N 1.372 1.567 0 C-N-CA 125.843 1.657 . . . . 0.0 108.623 177.373 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 . . . . . 0 CA--C 1.512 -0.487 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.4 pp -92.39 133.92 32.18 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 O-C-N 118.967 -2.333 . . . . 0.0 109.916 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 48.2 m -98.55 130.64 45.11 Favored 'General case' 0 C--N 1.361 1.08 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -125.02 132.36 53.25 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 126.017 1.727 . . . . 0.0 107.584 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.502 -0.872 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 N--CA 1.446 -0.628 0 CA-C-O 121.908 0.861 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.4 m -108.32 116.36 51.39 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 N-CA-C 103.522 -2.77 . . . . 0.0 103.522 172.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.31 171.01 14.65 Favored 'Isoleucine or valine' 0 C--N 1.344 0.342 0 O-C-N 119.895 -1.753 . . . . 0.0 112.561 -166.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -115.7 113.34 23.36 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 124.24 1.016 . . . . 0.0 111.32 -169.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.42 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 27.7 m-85 -107.61 130.5 54.89 Favored 'General case' 0 C--N 1.362 1.117 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -175.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -120.97 159.48 25.51 Favored 'General case' 0 C--N 1.386 2.17 0 C-N-CA 126.863 2.065 . . . . 0.0 115.533 -171.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 m -145.55 148.38 33.12 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 125.772 1.629 . . . . 0.0 109.772 173.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.361 1.073 0 C-N-CA 125.942 1.697 . . . . 0.0 108.654 179.305 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 8.7 m95 . . . . . 0 N--CA 1.444 -0.742 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.7 m -131.14 161.27 41.36 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 O-C-N 121.248 -0.907 . . . . 0.0 109.299 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -90.24 115.02 27.14 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 127.506 2.322 . . . . 0.0 104.889 172.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -68.59 -48.57 63.83 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 127.552 2.341 . . . . 0.0 112.457 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.42 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 2.3 p90 -171.07 172.22 5.49 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.02 132.44 41.86 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 101.117 -3.661 . . . . 0.0 101.117 176.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.1 164.2 38.14 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 122.353 1.073 . . . . 0.0 113.893 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.88 121.41 27.69 Favored 'General case' 0 C--N 1.363 1.152 0 C-N-CA 126.501 1.921 . . . . 0.0 107.338 171.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.09 164.58 22.82 Favored 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 120.601 -1.312 . . . . 0.0 107.711 -172.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -124.5 106.15 9.95 Favored 'General case' 0 C--N 1.359 1.014 0 N-CA-C 101.818 -3.401 . . . . 0.0 101.818 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.411 HG22 HG21 ' A' ' 102' ' ' ILE . 36.8 t -107.26 117.12 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 128.142 2.577 . . . . 0.0 104.554 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -140.9 164.19 37.74 Favored Pre-proline 0 C--N 1.357 0.914 0 O-C-N 120.296 -1.503 . . . . 0.0 110.327 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -69.11 156.2 65.76 Favored 'Trans proline' 0 CA--C 1.552 1.414 1 C-N-CA 125.752 4.301 . . . . 0.0 113.071 175.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 tt . . . . . 0 CA--C 1.561 1.402 0 CA-C-N 122.094 2.225 . . . . 0.0 116.765 179.607 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.494 0 CA-C-O 122.17 0.872 . . . . 0.0 113.797 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.404 ' CE1' HG21 ' A' ' 115' ' ' VAL . 4.6 m-85 -113.14 159.02 19.67 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 124.833 2.254 . . . . 0.0 111.548 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -124.38 120.58 32.52 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 103.174 -2.898 . . . . 0.0 103.174 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.41 HD12 HG22 ' A' ' 72' ' ' VAL . 3.6 mm -120.81 133.02 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 C-N-CA 124.88 1.272 . . . . 0.0 108.254 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.391 1.8 p90 -129.82 140.55 51.0 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 164.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 m -139.82 151.88 66.8 Favored Pre-proline 0 C--N 1.354 0.774 0 C-N-CA 126.235 1.814 . . . . 0.0 108.324 -171.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -75.8 125.78 9.02 Favored 'Trans proline' 0 CA--C 1.556 1.588 0 CA-C-N 125.591 3.032 . . . . 0.0 108.229 162.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.361 0.0 OUTLIER 34.51 2.42 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.911 2 N-CA-C 124.731 5.086 . . . . 0.0 124.731 -176.201 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -103.38 131.94 50.05 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 119.694 -1.879 . . . . 0.0 112.261 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -107.68 25.95 10.88 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 126.486 1.914 . . . . 0.0 111.513 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.9 ttp-105 -102.54 1.42 34.95 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 119.506 3.15 . . . . 0.0 119.506 -167.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.602 HG23 HG11 ' A' ' 108' ' ' VAL . 3.2 mp -72.0 -67.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.673 0 CA-C-N 123.531 2.878 . . . . 0.0 113.194 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.497 ' HB3' ' CE1' ' A' ' 117' ' ' PHE . 35.3 p30 -116.11 113.79 23.62 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -165.96 53.28 0.1 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 174.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.7 tttp 76.75 69.02 0.06 Allowed 'General case' 0 C--N 1.372 1.557 0 C-N-CA 129.587 3.155 . . . . 0.0 111.085 -174.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 20.9 mtt -148.64 176.8 10.04 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 124.533 1.133 . . . . 0.0 108.835 -169.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 mpm_? -133.97 134.41 42.48 Favored 'General case' 0 C--N 1.367 1.342 0 N-CA-C 106.175 -1.787 . . . . 0.0 106.175 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.602 HG11 HG23 ' A' ' 102' ' ' ILE . 35.2 m -132.22 146.16 33.54 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 CA-C-O 122.699 1.237 . . . . 0.0 113.617 -176.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.3 mp -105.17 107.45 22.61 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 170.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.454 ' N ' ' CD1' ' A' ' 110' ' ' TYR 0.253 1.3 p90 -112.08 111.54 22.52 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 126.741 2.016 . . . . 0.0 107.459 173.792 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 58.81 31.71 21.51 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 126.939 2.096 . . . . 0.0 116.584 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.42 -2.21 86.34 Favored Glycine 0 C--N 1.359 1.812 0 N-CA-C 116.22 1.248 . . . . 0.0 116.22 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -97.02 140.95 30.78 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 125.739 1.616 . . . . 0.0 108.443 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 12.1 mt -118.68 124.61 73.42 Favored 'Isoleucine or valine' 0 C--N 1.369 1.431 0 CA-C-N 119.366 0.985 . . . . 0.0 109.739 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.404 HG21 ' CE1' ' A' ' 92' ' ' TYR . 9.8 p -131.78 152.1 36.4 Favored 'Isoleucine or valine' 0 C--N 1.36 1.022 0 C-N-CA 125.298 1.439 . . . . 0.0 110.561 177.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.1 t -119.07 135.54 54.59 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 129.04 2.936 . . . . 0.0 106.944 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -171.35 158.8 5.46 Favored 'General case' 0 C--N 1.367 1.354 0 N-CA-C 116.087 1.884 . . . . 0.0 116.087 -172.296 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 tp -120.2 118.45 56.86 Favored 'Isoleucine or valine' 0 C--N 1.37 1.498 0 C-N-CA 125.97 1.708 . . . . 0.0 108.902 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -126.69 174.64 18.07 Favored Glycine 0 C--N 1.363 2.047 0 O-C-N 120.546 -1.346 . . . . 0.0 115.564 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -129.32 128.6 23.22 Favored Pre-proline 0 C--N 1.357 0.896 0 C-N-CA 127.386 2.274 . . . . 0.0 109.282 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -96.43 153.65 1.27 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 123.901 3.068 . . . . 0.0 114.975 -177.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 18.0 t -131.99 126.32 56.43 Favored 'Isoleucine or valine' 0 C--N 1.368 1.381 0 C-N-CA 128.406 2.682 . . . . 0.0 107.758 175.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--N 1.368 1.401 0 O-C-N 119.843 -1.786 . . . . 0.0 112.657 177.055 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 . . . . . 0 N--CA 1.465 0.306 0 CA-C-O 123.737 1.732 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.8 pp -107.11 140.74 24.27 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 O-C-N 120.093 -1.629 . . . . 0.0 111.087 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 23.6 m -98.73 138.59 35.67 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 125.145 1.378 . . . . 0.0 108.916 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -119.74 122.68 41.96 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 C--N 1.353 0.754 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -179.521 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 CA--C 1.508 -0.667 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.1 t -97.15 115.46 36.86 Favored 'Isoleucine or valine' 0 C--N 1.368 1.375 0 CA-C-O 123.515 1.626 . . . . 0.0 108.2 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 pt -117.22 170.56 6.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 O-C-N 120.338 -1.476 . . . . 0.0 109.979 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.7 m -121.38 125.43 46.93 Favored 'General case' 0 C--N 1.373 1.628 0 O-C-N 120.736 -1.227 . . . . 0.0 110.625 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.426 ' CG ' ' CZ ' ' A' ' 66' ' ' PHE . 75.1 m-85 -105.34 130.89 53.35 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 125.964 1.706 . . . . 0.0 110.873 179.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -131.81 146.33 52.08 Favored 'General case' 0 C--N 1.373 1.594 0 C-N-CA 125.912 1.685 . . . . 0.0 110.579 -176.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.4 p -126.36 157.78 37.59 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 120.534 -1.354 . . . . 0.0 112.981 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.361 1.078 0 C-N-CA 129.711 3.204 . . . . 0.0 104.47 176.643 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.4 m95 . . . . . 0 N--CA 1.443 -0.781 0 CA-C-O 122.921 1.343 . . . . 0.0 111.606 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.2 p -143.4 164.29 15.7 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.37 146.44 26.46 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 125.855 1.662 . . . . 0.0 107.867 173.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -100.8 -61.65 1.34 Allowed 'General case' 0 C--N 1.354 0.78 0 CA-C-O 122.623 1.202 . . . . 0.0 110.05 -174.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.426 ' CZ ' ' CG ' ' A' ' 45' ' ' PHE . 5.4 p90 -162.93 174.53 12.23 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 104.878 -2.268 . . . . 0.0 104.878 -177.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -135.88 133.23 37.52 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 101.752 -3.425 . . . . 0.0 101.752 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.72 164.84 33.18 Favored 'General case' 0 CA--C 1.498 -1.055 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.98 114.53 20.62 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 123.947 1.832 . . . . 0.0 106.529 170.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -158.12 166.83 31.49 Favored 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 114.185 -1.371 . . . . 0.0 107.727 -172.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -128.22 107.53 9.86 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 101.758 -3.423 . . . . 0.0 101.758 171.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.41 ' HA ' HG23 ' A' ' 94' ' ' ILE . 9.1 t -110.33 103.24 15.18 Favored 'Isoleucine or valine' 0 C--N 1.373 1.614 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -138.61 152.77 71.54 Favored Pre-proline 0 C--N 1.361 1.106 0 O-C-N 118.806 -2.434 . . . . 0.0 111.938 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -71.61 150.03 56.29 Favored 'Trans proline' 0 C--N 1.364 1.381 0 C-N-CA 124.996 3.797 . . . . 0.0 113.937 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.6 tt . . . . . 0 C--N 1.363 1.174 0 CA-C-O 125.471 2.557 . . . . 0.0 110.337 175.905 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.746 0 CA-C-O 122.098 0.832 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.277 6.2 m-85 -106.09 157.22 17.7 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-O 125.32 2.486 . . . . 0.0 109.555 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER -127.35 118.06 23.42 Favored 'General case' 0 N--CA 1.441 -0.899 1 N-CA-C 99.581 -4.229 . . . . 0.0 99.581 176.475 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.41 HG23 ' HA ' ' A' ' 72' ' ' VAL . 9.1 mt -147.09 142.23 20.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 O-C-N 121.101 -0.999 . . . . 0.0 110.947 -169.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.14 139.2 52.03 Favored 'General case' 0 C--N 1.368 1.396 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 169.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.1 t -139.99 142.25 29.91 Favored Pre-proline 0 C--N 1.368 1.406 0 N-CA-C 103.127 -2.916 . . . . 0.0 103.127 162.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -61.06 126.85 20.54 Favored 'Trans proline' 0 C--N 1.369 1.62 1 C-N-CA 125.337 4.025 . . . . 0.0 112.052 176.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.364 0.7 OUTLIER 28.32 16.56 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.664 2 C-N-CA 135.826 5.651 . . . . 0.0 122.432 -174.338 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -103.34 131.26 50.55 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 119.98 -1.7 . . . . 0.0 110.281 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -99.8 31.81 3.11 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 127.185 2.194 . . . . 0.0 112.438 -175.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -103.14 -47.58 4.29 Favored 'General case' 0 C--N 1.356 0.888 0 N-CA-C 118.071 2.619 . . . . 0.0 118.071 -176.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.43 HG12 ' H ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -9.31 -67.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.388 2.251 1 C-N-CA 133.058 4.543 . . . . 0.0 120.614 178.641 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.43 ' H ' HG12 ' A' ' 102' ' ' ILE . 55.5 t0 -135.22 111.4 9.63 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 100.769 -3.789 . . . . 0.0 100.769 170.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -147.95 -83.9 0.11 Allowed 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 101.557 -3.498 . . . . 0.0 101.557 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -142.49 90.24 2.21 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 100.372 -3.936 . . . . 0.0 100.372 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.8 ttm -158.76 170.78 21.38 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 120.527 -1.358 . . . . 0.0 111.455 -169.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -128.85 134.51 48.34 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.8 m -134.84 151.21 30.88 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 O-C-N 120.487 -1.383 . . . . 0.0 109.075 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.4 pt -112.19 107.8 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 101.863 -3.384 . . . . 0.0 101.863 166.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -96.6 107.16 19.55 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 130.596 3.558 . . . . 0.0 103.855 173.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 46.29 32.73 1.59 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 128.818 2.847 . . . . 0.0 118.468 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.63 8.47 62.26 Favored Glycine 0 C--N 1.364 2.124 0 C-N-CA 126.059 1.79 . . . . 0.0 116.065 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -110.81 124.3 51.76 Favored 'General case' 0 C--N 1.361 1.07 0 CA-C-N 119.597 1.698 . . . . 0.0 108.028 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.3 tt -92.54 127.72 44.54 Favored 'Isoleucine or valine' 0 C--N 1.363 1.189 0 CA-C-O 123.38 1.562 . . . . 0.0 113.86 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.7 t -128.66 137.62 56.83 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 C-N-CA 127.447 2.299 . . . . 0.0 108.665 -175.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.1 t -123.88 126.53 46.56 Favored 'General case' 0 C--N 1.368 1.374 0 N-CA-C 104.909 -2.256 . . . . 0.0 104.909 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.83 155.16 11.98 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-O 122.941 1.353 . . . . 0.0 114.572 -171.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 10.9 tt -117.48 135.17 58.73 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 C-N-CA 127.468 2.307 . . . . 0.0 108.694 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -156.99 -169.77 21.23 Favored Glycine 0 C--N 1.36 1.897 0 O-C-N 120.291 -1.506 . . . . 0.0 112.076 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -151.6 96.72 3.15 Favored Pre-proline 0 C--N 1.362 1.126 0 C-N-CA 126.406 1.882 . . . . 0.0 111.718 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -72.69 146.82 44.0 Favored 'Trans proline' 0 CA--C 1.547 1.138 1 C-N-CA 125.66 4.24 . . . . 0.0 116.336 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.4 p -132.78 148.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 C-N-CA 125.774 1.63 . . . . 0.0 113.14 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--N 1.367 1.357 0 O-C-N 120.006 -1.684 . . . . 0.0 108.074 172.282 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 121.394 0.616 . . . . 0.0 112.211 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 15.1 pt -100.7 131.53 48.12 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 C-N-CA 124.472 1.109 . . . . 0.0 113.218 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.3 m -110.41 119.47 39.31 Favored 'General case' 0 C--N 1.364 1.233 0 N-CA-C 104.445 -2.428 . . . . 0.0 104.445 170.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -123.97 138.08 54.52 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 125.464 1.506 . . . . 0.0 111.056 -172.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.356 0.879 0 N-CA-C 106.341 -1.725 . . . . 0.0 106.341 171.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 N--CA 1.47 0.541 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -96.51 114.7 34.0 Favored 'Isoleucine or valine' 0 C--N 1.37 1.482 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 70' ' ' ALA . 33.6 mt -107.3 156.3 7.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 128.662 2.785 . . . . 0.0 109.865 -170.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.5 m -120.8 111.23 17.3 Favored 'General case' 0 C--N 1.37 1.474 0 O-C-N 121.133 -0.979 . . . . 0.0 109.381 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 82.9 m-85 -107.48 132.75 52.88 Favored 'General case' 0 C--N 1.363 1.153 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -178.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.05 159.86 27.56 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 126.756 2.022 . . . . 0.0 108.849 171.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.3 t -121.14 148.77 43.75 Favored 'General case' 0 C--N 1.374 1.642 0 C-N-CA 128.118 2.567 . . . . 0.0 112.86 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.2 t80 . . . . . 0 C--N 1.359 1.021 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 174.25 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 29.2 m95 . . . . . 0 N--CA 1.443 -0.808 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -129.03 166.9 25.48 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 O-C-N 120.949 -1.094 . . . . 0.0 108.174 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -97.69 135.4 39.54 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 125.766 1.626 . . . . 0.0 107.155 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -98.19 -68.29 0.81 Allowed 'General case' 0 C--N 1.365 1.259 0 O-C-N 121.121 -0.987 . . . . 0.0 112.7 -173.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.424 ' CZ ' ' CD1' ' A' ' 45' ' ' PHE . 6.7 p90 -164.91 175.16 9.8 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -177.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 t -136.99 132.96 35.05 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 102.732 -3.062 . . . . 0.0 102.732 170.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.15 165.06 37.04 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.36 121.94 26.84 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.308 1.843 . . . . 0.0 109.386 177.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.488 ' HB3' HD12 ' A' ' 43' ' ' ILE . . . -169.01 171.88 7.93 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 122.803 1.287 . . . . 0.0 112.912 -162.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -129.58 122.06 28.37 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 165.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.416 ' HA ' HG12 ' A' ' 94' ' ' ILE . 10.6 t -107.72 102.11 13.49 Favored 'Isoleucine or valine' 0 C--N 1.374 1.652 0 N-CA-C 102.661 -3.088 . . . . 0.0 102.661 171.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -113.79 138.77 22.86 Favored Pre-proline 0 C--N 1.357 0.898 0 O-C-N 119.597 -1.939 . . . . 0.0 112.3 -172.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -71.61 155.89 58.42 Favored 'Trans proline' 0 CA--C 1.551 1.338 0 CA-C-N 126.359 3.307 . . . . 0.0 114.099 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.3 pt . . . . . 0 C--N 1.379 1.887 0 C-N-CA 127.838 2.455 . . . . 0.0 112.963 172.855 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.482 -2.023 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -132.82 154.16 50.58 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 123.696 1.712 . . . . 0.0 109.341 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.481 HD21 ' HE ' ' A' ' 132' ' ' ARG . 1.3 t-20 -127.58 118.89 24.79 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 103.258 -2.867 . . . . 0.0 103.258 173.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.416 HG12 ' HA ' ' A' ' 72' ' ' VAL . 28.4 mt -133.53 145.7 33.22 Favored 'Isoleucine or valine' 0 C--N 1.348 0.539 0 O-C-N 120.971 -1.081 . . . . 0.0 110.463 -170.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.76 129.36 50.31 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 104.584 -2.376 . . . . 0.0 104.584 171.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.1 m -140.84 145.37 39.41 Favored Pre-proline 0 C--N 1.352 0.679 0 N-CA-C 104.435 -2.432 . . . . 0.0 104.435 172.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -73.6 140.14 29.24 Favored 'Trans proline' 0 C--N 1.363 1.32 0 C-N-CA 124.915 3.743 . . . . 0.0 112.04 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.381 1.5 t80 31.69 -1.78 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.061 2 C-N-CA 136.032 5.733 . . . . 0.0 123.523 -177.16 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -103.45 106.52 17.05 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 129.412 3.085 . . . . 0.0 111.615 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -87.81 48.2 1.61 Allowed 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.358 2.263 . . . . 0.0 111.386 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.405 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 85.8 mmt-85 -102.09 -49.46 3.92 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 128.863 2.865 . . . . 0.0 112.916 -173.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.497 HD12 HG22 ' A' ' 133' ' ' ILE . 0.8 OUTLIER 8.7 -82.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.377 1.799 1 C-N-CA 132.312 4.245 . . . . 0.0 120.856 167.998 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.407 ' H ' HG13 ' A' ' 102' ' ' ILE . 56.1 t0 -122.94 111.61 16.83 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 127.339 2.256 . . . . 0.0 105.858 170.157 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -175.27 43.4 0.01 OUTLIER 'General case' 0 C--N 1.365 1.24 0 C-N-CA 126.518 1.927 . . . . 0.0 107.698 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 81.55 56.61 0.02 OUTLIER 'General case' 0 C--N 1.372 1.555 0 C-N-CA 128.496 2.719 . . . . 0.0 108.395 -170.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.09 158.51 36.82 Favored 'General case' 0 C--N 1.364 1.232 0 CA-C-O 124.527 2.108 . . . . 0.0 111.031 -171.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -123.9 129.98 51.85 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 101.555 -3.498 . . . . 0.0 101.555 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.5 p -131.32 143.71 39.82 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 CA-C-O 122.599 1.19 . . . . 0.0 109.357 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.05 105.65 19.02 Favored 'Isoleucine or valine' 0 C--N 1.369 1.432 0 N-CA-C 101.118 -3.66 . . . . 0.0 101.118 166.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -99.55 90.45 4.51 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 128.582 2.753 . . . . 0.0 105.947 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 60.51 33.08 20.58 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.84 8.47 61.92 Favored Glycine 0 C--N 1.364 2.119 0 C-N-CA 126.042 1.782 . . . . 0.0 115.535 -174.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -108.19 120.05 41.25 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 125.83 1.652 . . . . 0.0 109.431 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.4 pt -97.55 113.81 33.03 Favored 'Isoleucine or valine' 0 C--N 1.365 1.267 0 C-N-CA 125.624 1.57 . . . . 0.0 114.217 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 26.7 m -131.18 149.5 33.43 Favored 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 126.044 1.738 . . . . 0.0 110.095 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 t -121.68 139.91 52.96 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 127.297 2.239 . . . . 0.0 106.95 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.5 153.53 11.18 Favored 'General case' 0 C--N 1.362 1.128 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -173.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.2 mt -114.49 121.43 66.58 Favored 'Isoleucine or valine' 0 C--N 1.377 1.762 0 C-N-CA 125.803 1.641 . . . . 0.0 106.691 174.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -136.88 178.74 18.66 Favored Glycine 0 C--N 1.363 2.081 0 O-C-N 120.617 -1.302 . . . . 0.0 112.228 -176.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -123.91 97.21 41.47 Favored Pre-proline 0 C--N 1.361 1.068 0 C-N-CA 125.818 1.647 . . . . 0.0 108.339 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -88.05 155.68 7.09 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 124.271 3.314 . . . . 0.0 112.927 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 17.4 t -127.7 129.61 70.14 Favored 'Isoleucine or valine' 0 C--N 1.361 1.069 0 C-N-CA 126.286 1.835 . . . . 0.0 111.049 -176.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 . . . . . 0 C--N 1.365 1.267 0 C-N-CA 127.643 2.377 . . . . 0.0 108.896 172.11 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 . . . . . 0 N--CA 1.462 0.156 0 CA-C-O 121.714 0.769 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 88.7 mt -101.31 127.18 54.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 120.565 -1.335 . . . . 0.0 108.935 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.32 121.56 41.25 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 127.874 2.47 . . . . 0.0 106.771 174.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.481 ' HE ' HD21 ' A' ' 93' ' ' ASN . 81.6 ttt180 -124.38 138.62 54.35 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 125.504 1.522 . . . . 0.0 111.248 -173.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.497 HG22 HD12 ' A' ' 102' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.353 0.744 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 169.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.409 ' HB2' HH21 ' A' ' 111' ' ' ARG . 2.5 t70 . . . . . 0 C--O 1.242 0.672 0 CA-C-O 122.34 1.067 . . . . 0.0 112.06 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.0 t -97.86 116.17 39.76 Favored 'Isoleucine or valine' 0 C--N 1.37 1.468 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.0 mm -101.59 153.07 5.12 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 C-N-CA 127.279 2.231 . . . . 0.0 110.916 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.0 m -113.65 114.91 27.07 Favored 'General case' 0 C--N 1.375 1.676 0 O-C-N 121.236 -0.915 . . . . 0.0 108.732 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.458 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 97.6 m-85 -105.74 123.62 48.23 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 123.742 0.817 . . . . 0.0 110.118 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -131.01 146.36 52.36 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.022 1.729 . . . . 0.0 109.746 -176.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.4 p -117.43 168.77 10.07 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.943 1.697 . . . . 0.0 112.044 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 t80 . . . . . 0 C--N 1.359 0.979 0 N-CA-C 104.417 -2.438 . . . . 0.0 104.417 173.978 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 83.8 m95 . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.9 p -138.93 168.38 19.22 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 C-N-CA 125.335 1.454 . . . . 0.0 108.934 -173.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -89.56 146.09 24.82 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.004 1.722 . . . . 0.0 108.451 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -97.21 -56.56 2.5 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 124.564 1.146 . . . . 0.0 108.554 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.458 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 9.6 p90 -164.89 173.9 11.16 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.2 p -134.17 132.25 39.58 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 102.478 -3.156 . . . . 0.0 102.478 174.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.46 164.24 37.64 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -176.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.61 115.15 21.45 Favored 'General case' 0 C--N 1.366 1.299 0 O-C-N 120.28 -1.512 . . . . 0.0 107.782 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.71 145.15 4.42 Favored 'General case' 0 CA--C 1.497 -1.067 0 C-N-CA 119.169 -1.012 . . . . 0.0 108.309 -164.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -111.26 112.16 23.74 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 120.613 1.551 . . . . 0.0 108.792 172.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.8 t -95.74 127.19 47.99 Favored 'Isoleucine or valine' 0 C--N 1.375 1.714 1 N-CA-C 98.893 -4.484 . . . . 0.0 98.893 169.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -132.73 128.4 20.84 Favored Pre-proline 0 C--N 1.353 0.758 0 CA-C-O 115.583 -2.151 . . . . 0.0 109.818 -173.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -71.47 140.06 35.74 Favored 'Trans proline' 0 C--N 1.363 1.331 0 C-N-CA 125.201 3.934 . . . . 0.0 112.845 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.438 10.9 tt . . . . . 0 C--N 1.364 1.2 0 C-N-CA 129.569 3.147 . . . . 0.0 118.223 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.484 -1.893 0 CA-C-O 123.084 1.38 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -127.74 142.66 51.26 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 125.125 1.37 . . . . 0.0 109.189 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -138.1 123.89 19.93 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 103.524 -2.769 . . . . 0.0 103.524 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.25 148.38 30.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 C-N-CA 125.634 1.574 . . . . 0.0 113.483 -165.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.82 113.82 21.18 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 103.552 -2.759 . . . . 0.0 103.552 169.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.6 m -140.49 148.95 55.64 Favored Pre-proline 0 C--N 1.361 1.085 0 O-C-N 118.816 -2.427 . . . . 0.0 109.369 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -70.54 133.37 23.98 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 124.794 3.663 . . . . 0.0 111.676 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.27 2.7 t80 10.45 18.08 0.0 OUTLIER 'General case' 0 C--N 1.366 1.296 2 C-N-CA 137.324 6.25 . . . . 0.0 122.961 -176.09 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -95.47 137.7 34.17 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 128.585 2.754 . . . . 0.0 110.363 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -119.26 23.75 11.12 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 127.201 2.2 . . . . 0.0 111.495 -175.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -99.24 -43.91 6.44 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.827 ' H ' HD12 ' A' ' 102' ' ' ILE . 2.2 mp -12.51 -70.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.381 1.977 1 C-N-CA 136.058 5.743 . . . . 0.0 116.301 -179.483 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . 0.304 52.8 p30 -133.21 113.53 12.77 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 122.024 0.916 . . . . 0.0 108.851 167.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -169.04 43.57 0.03 OUTLIER 'General case' 0 C--N 1.355 0.839 0 N-CA-C 103.237 -2.875 . . . . 0.0 103.237 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? 84.1 82.81 0.03 OUTLIER 'General case' 0 C--N 1.371 1.543 0 C-N-CA 128.928 2.891 . . . . 0.0 109.663 -174.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 39.0 tpp -158.44 165.96 33.37 Favored 'General case' 0 C--N 1.36 1.057 0 O-C-N 120.825 -1.172 . . . . 0.0 108.262 -169.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -118.04 148.25 42.44 Favored 'General case' 0 C--N 1.366 1.32 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 167.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.5 p -138.94 150.13 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.1 tt -120.94 106.51 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.073 1 N-CA-C 100.152 -4.018 . . . . 0.0 100.152 164.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . 0.426 11.2 p90 -108.04 101.43 10.67 Favored 'General case' 0 C--N 1.373 1.627 0 C-N-CA 124.565 1.146 . . . . 0.0 110.829 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.409 HH21 ' HB2' ' A' ' 41' ' ' ASP . 27.7 ttm180 60.51 32.1 20.41 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 126.25 1.82 . . . . 0.0 114.698 -176.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.13 12.97 58.21 Favored Glycine 0 C--N 1.363 2.082 0 C-N-CA 125.547 1.546 . . . . 0.0 116.806 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -107.76 109.5 21.09 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 119.7 1.75 . . . . 0.0 109.361 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.8 mp -90.79 109.03 20.43 Favored 'Isoleucine or valine' 0 C--N 1.37 1.477 0 C-N-CA 125.394 1.478 . . . . 0.0 110.705 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.41 149.97 33.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 C-N-CA 125.33 1.452 . . . . 0.0 109.736 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -113.68 131.45 56.15 Favored 'General case' 0 C--N 1.363 1.186 0 N-CA-C 103.14 -2.911 . . . . 0.0 103.14 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -156.59 166.16 34.19 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -170.072 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 22.7 pt -133.06 162.8 39.4 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 C-N-CA 126.315 1.846 . . . . 0.0 109.101 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 179.36 -166.97 36.71 Favored Glycine 0 C--N 1.363 2.045 0 O-C-N 121.662 -0.649 . . . . 0.0 113.416 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -146.55 138.09 13.17 Favored Pre-proline 0 C--N 1.369 1.446 0 C-N-CA 126.276 1.83 . . . . 0.0 112.144 178.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -103.57 144.56 0.16 Allowed 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 124.781 3.654 . . . . 0.0 114.289 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 97.7 t -132.84 139.06 50.53 Favored 'Isoleucine or valine' 0 C--N 1.364 1.223 0 N-CA-C 105.834 -1.914 . . . . 0.0 105.834 174.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--N 1.368 1.373 0 O-C-N 120.073 -1.642 . . . . 0.0 110.536 178.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 C--O 1.226 -0.171 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 47.6 mm -106.0 131.82 54.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 O-C-N 121.099 -1.001 . . . . 0.0 111.052 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.9 m -114.23 140.67 48.38 Favored 'General case' 0 C--N 1.364 1.205 0 CA-C-O 124.405 2.05 . . . . 0.0 107.565 171.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -101.43 120.19 39.91 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 129.862 3.265 . . . . 0.0 108.752 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.4 mm . . . . . 0 C--N 1.355 0.837 0 N-CA-C 105.709 -1.96 . . . . 0.0 105.709 -178.111 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 . . . . . 0 N--CA 1.467 0.422 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -95.86 116.63 38.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.977 0 CA-C-O 124.3 2.0 . . . . 0.0 110.655 -172.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 110' ' ' TYR . 41.4 mm -103.42 158.06 5.02 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 C-N-CA 129.001 2.92 . . . . 0.0 110.845 -171.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.1 m -121.01 114.77 21.99 Favored 'General case' 0 C--N 1.373 1.593 0 O-C-N 120.469 -1.394 . . . . 0.0 108.667 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CG ' ' CZ ' ' A' ' 66' ' ' PHE . 42.3 m-85 -103.02 132.55 49.21 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 125.463 1.505 . . . . 0.0 110.501 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -129.9 148.55 51.78 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 125.568 1.547 . . . . 0.0 114.704 -172.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.9 p -123.76 156.05 36.75 Favored 'General case' 0 C--N 1.369 1.428 0 C-N-CA 127.791 2.436 . . . . 0.0 114.911 -176.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.4 t80 . . . . . 0 C--N 1.363 1.19 0 C-N-CA 126.844 2.058 . . . . 0.0 109.602 -179.573 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 49.0 m95 . . . . . 0 N--CA 1.438 -1.054 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.34 160.64 28.46 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -83.35 146.76 28.31 Favored 'General case' 0 C--N 1.364 1.224 0 C-N-CA 125.648 1.579 . . . . 0.0 111.342 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -97.39 -59.23 1.82 Allowed 'General case' 0 C--N 1.361 1.096 0 C-N-CA 125.394 1.478 . . . . 0.0 111.613 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.404 ' CZ ' ' CG ' ' A' ' 45' ' ' PHE . 12.6 p90 -162.54 173.58 13.8 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 -178.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.9 t -137.08 133.41 35.37 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 103.564 -2.754 . . . . 0.0 103.564 174.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.37 157.95 43.12 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.0 -1.062 . . . . 0.0 112.819 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.51 114.28 20.81 Favored 'General case' 0 C--N 1.369 1.423 0 O-C-N 120.271 -1.518 . . . . 0.0 109.263 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.74 170.33 10.97 Favored 'General case' 0 CA--C 1.496 -1.115 0 O-C-N 120.944 -1.097 . . . . 0.0 109.345 -164.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -122.87 108.87 13.47 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 174.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.596 HG12 ' HE2' ' A' ' 92' ' ' TYR . 12.4 t -110.77 96.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.371 1.503 0 N-CA-C 101.359 -3.571 . . . . 0.0 101.359 -177.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -112.76 139.5 22.89 Favored Pre-proline 0 C--N 1.357 0.919 0 O-C-N 119.008 -2.307 . . . . 0.0 116.525 -163.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -71.35 146.88 51.64 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 123.091 2.527 . . . . 0.0 113.624 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.328 69.6 mt . . . . . 0 C--N 1.356 0.86 0 C-N-CA 130.115 3.366 . . . . 0.0 116.939 171.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.408 0 N-CA-C 114.262 0.465 . . . . 0.0 114.262 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.596 ' HE2' HG12 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -111.56 132.34 54.61 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 126.55 1.94 . . . . 0.0 107.277 174.652 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.93 124.67 33.67 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 125.436 1.494 . . . . 0.0 109.371 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.566 HG12 HG13 ' A' ' 72' ' ' VAL . 4.1 mp -120.67 143.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 C-N-CA 125.2 1.4 . . . . 0.0 113.085 -171.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.251 0.0 OUTLIER -122.07 113.86 20.13 Favored 'General case' 0 C--N 1.366 1.305 0 N-CA-C 102.81 -3.033 . . . . 0.0 102.81 166.495 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.0 t -140.48 158.97 64.96 Favored Pre-proline 0 C--N 1.366 1.294 0 O-C-N 120.881 -1.137 . . . . 0.0 110.154 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -68.13 148.32 74.91 Favored 'Trans proline' 0 CA--C 1.557 1.641 0 C-N-CA 124.093 3.195 . . . . 0.0 111.781 163.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.253 2.4 t80 -8.48 27.88 0.0 OUTLIER 'General case' 0 C--N 1.365 1.256 2 C-N-CA 137.096 6.158 . . . . 0.0 124.535 -177.305 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -103.12 138.01 40.52 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 119.675 -1.89 . . . . 0.0 109.749 175.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -114.52 24.93 11.43 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 120.446 -1.409 . . . . 0.0 111.875 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -102.12 -39.88 7.07 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 116.862 2.171 . . . . 0.0 116.862 -173.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.911 ' H ' HD12 ' A' ' 102' ' ' ILE . 2.7 mp -13.13 -68.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.375 1.691 1 C-N-CA 135.462 5.505 . . . . 0.0 119.207 -179.313 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.93 110.92 15.42 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 103.826 -2.657 . . . . 0.0 103.826 171.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -174.14 39.96 0.01 OUTLIER 'General case' 0 C--N 1.352 0.691 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 87.0 tttt 84.46 73.92 0.02 OUTLIER 'General case' 0 C--N 1.369 1.45 0 C-N-CA 129.35 3.06 . . . . 0.0 107.5 -171.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.9 mmt -151.25 179.05 8.64 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 123.116 1.436 . . . . 0.0 109.754 -169.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -137.23 134.84 36.67 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 128.198 2.599 . . . . 0.0 104.65 174.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.584 HG11 HG11 ' A' ' 72' ' ' VAL . 60.7 t -128.39 141.2 47.16 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 O-C-N 119.68 -1.887 . . . . 0.0 106.364 177.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.5 mp -102.47 105.94 19.01 Favored 'Isoleucine or valine' 0 C--N 1.37 1.477 0 N-CA-C 100.838 -3.764 . . . . 0.0 100.838 170.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.468 ' HA ' HD12 ' A' ' 43' ' ' ILE . 21.0 t80 -102.38 91.58 4.32 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 129.94 3.296 . . . . 0.0 107.41 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 58.19 32.94 22.65 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 127.673 2.389 . . . . 0.0 116.293 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.08 3.79 65.27 Favored Glycine 0 C--N 1.363 2.033 0 C-N-CA 125.995 1.76 . . . . 0.0 116.219 -173.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -105.57 129.19 53.88 Favored 'General case' 0 C--N 1.361 1.088 0 CA-C-N 119.629 1.715 . . . . 0.0 107.407 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.8 tt -114.17 118.77 59.41 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 CA-C-O 122.127 0.965 . . . . 0.0 111.712 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.1 t -130.98 143.55 40.51 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 C-N-CA 125.53 1.532 . . . . 0.0 109.041 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 32.7 m -109.23 134.57 51.6 Favored 'General case' 0 C--N 1.378 1.818 0 C-N-CA 128.708 2.803 . . . . 0.0 107.668 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -167.14 172.6 9.85 Favored 'General case' 0 C--N 1.362 1.131 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -170.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.8 tp -124.92 156.72 33.61 Favored 'Isoleucine or valine' 0 C--N 1.366 1.302 0 C-N-CA 127.666 2.386 . . . . 0.0 110.186 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -170.15 -168.03 31.42 Favored Glycine 0 C--N 1.366 2.217 0 O-C-N 120.819 -1.176 . . . . 0.0 113.495 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -141.16 131.23 13.07 Favored Pre-proline 0 C--N 1.371 1.505 0 C-N-CA 127.803 2.441 . . . . 0.0 110.606 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -103.12 143.34 0.16 Allowed 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 124.545 3.496 . . . . 0.0 114.704 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.35 139.65 49.56 Favored 'Isoleucine or valine' 0 C--N 1.367 1.366 0 C-N-CA 125.169 1.388 . . . . 0.0 108.461 172.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 C--N 1.359 0.979 0 O-C-N 119.388 -2.07 . . . . 0.0 113.415 -179.436 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 . . . . . 0 N--CA 1.469 0.498 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 13.7 pt -116.92 137.13 51.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 CA-C-O 122.742 1.258 . . . . 0.0 113.977 -170.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 26.8 m -115.23 141.02 48.59 Favored 'General case' 0 C--N 1.368 1.394 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 175.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -120.49 137.18 54.5 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-O 124.425 2.06 . . . . 0.0 106.744 176.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 CA--C 1.503 -0.845 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 -175.73 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 N--CA 1.475 0.775 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -105.38 115.59 47.49 Favored 'Isoleucine or valine' 0 C--N 1.372 1.566 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 172.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -113.14 161.77 11.82 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 C-N-CA 125.66 1.584 . . . . 0.0 113.82 -167.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 m -105.6 113.42 26.97 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 127.623 2.369 . . . . 0.0 108.704 174.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.637 ' CE1' HG22 ' A' ' 102' ' ' ILE . 98.3 m-85 -111.36 125.04 53.43 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.398 0.999 . . . . 0.0 113.012 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -123.84 149.19 46.04 Favored 'General case' 0 C--N 1.371 1.51 0 C-N-CA 125.265 1.426 . . . . 0.0 112.189 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.2 p -115.19 165.25 13.14 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.909 2.484 . . . . 0.0 111.313 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.8 t80 . . . . . 0 C--N 1.368 1.397 0 C-N-CA 125.304 1.441 . . . . 0.0 110.041 -179.215 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 94.2 m95 . . . . . 0 N--CA 1.443 -0.78 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.4 t -118.97 151.12 21.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 125.631 1.572 . . . . 0.0 107.255 -174.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -64.74 137.43 57.79 Favored 'General case' 0 C--N 1.367 1.334 0 C-N-CA 127.233 2.213 . . . . 0.0 114.816 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -101.16 -45.98 5.2 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 128.944 2.898 . . . . 0.0 107.827 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.406 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 1.6 p90 -171.06 177.4 3.7 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 103.725 -2.695 . . . . 0.0 103.725 -178.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.8 t -141.32 131.68 25.14 Favored 'General case' 0 CA--C 1.502 -0.874 1 N-CA-C 98.089 -4.782 . . . . 0.0 98.089 169.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.75 165.04 35.25 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -174.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.37 114.57 20.92 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 128.155 2.582 . . . . 0.0 109.395 174.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.15 160.39 43.41 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 -173.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -104.48 104.0 13.78 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 102.904 -2.999 . . . . 0.0 102.904 169.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.487 HG13 HD13 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -111.06 114.46 47.18 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 1 N-CA-C 97.044 -5.169 . . . . 0.0 97.044 179.749 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.99 140.39 23.98 Favored Pre-proline 0 C--N 1.368 1.401 0 CA-C-N 120.858 1.663 . . . . 0.0 110.76 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -72.05 133.64 21.83 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 124.271 3.314 . . . . 0.0 108.373 164.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.7 tp . . . . . 0 C--N 1.354 0.784 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 -174.89 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.069 0 N-CA-C 108.47 -1.852 . . . . 0.0 108.47 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -106.54 142.43 36.21 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-O 123.407 1.575 . . . . 0.0 110.362 174.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -116.62 119.49 35.68 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 104.089 -2.559 . . . . 0.0 104.089 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.806 HG23 HG23 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -150.23 130.66 4.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 O-C-N 119.902 -1.748 . . . . 0.0 111.941 -171.585 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.259 2.9 p90 -126.14 146.46 49.94 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.288 1.835 . . . . 0.0 107.035 169.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.405 HG22 ' HD2' ' A' ' 97' ' ' PRO . 0.9 OUTLIER -137.87 153.98 74.16 Favored Pre-proline 0 C--N 1.353 0.76 0 C-N-CA 126.57 1.948 . . . . 0.0 106.387 -175.429 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.405 ' HD2' HG22 ' A' ' 96' ' ' THR . 94.6 Cg_endo -71.92 126.59 12.05 Favored 'Trans proline' 0 CA--C 1.558 1.698 0 C-N-CA 123.02 2.48 . . . . 0.0 108.823 161.086 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.296 0.5 OUTLIER 18.82 19.07 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.108 2 C-N-CA 134.827 5.251 . . . . 0.0 124.889 -176.148 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -103.74 128.99 51.07 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 126.982 2.113 . . . . 0.0 109.26 176.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -104.66 37.29 2.17 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 125.673 1.589 . . . . 0.0 108.536 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.403 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 95.6 mtt180 -102.14 -49.31 3.95 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 -168.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.735 HG21 HD11 ' A' ' 94' ' ' ILE . 1.0 OUTLIER -13.7 -71.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.39 2.343 1 C-N-CA 132.447 4.299 . . . . 0.0 119.982 173.646 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.434 ' H ' ' CD1' ' A' ' 102' ' ' ILE 0.283 12.9 p-10 -133.31 113.24 12.37 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.783 1.233 . . . . 0.0 109.848 165.8 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -173.18 55.89 0.02 OUTLIER 'General case' 0 C--N 1.352 0.684 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 82.72 62.64 0.02 OUTLIER 'General case' 0 C--N 1.37 1.477 0 C-N-CA 129.653 3.181 . . . . 0.0 110.108 -173.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.2 mmt -137.13 162.44 33.4 Favored 'General case' 0 C--N 1.362 1.117 0 CA-C-O 123.02 1.39 . . . . 0.0 112.362 -171.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -130.08 123.52 30.62 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 101.77 -3.419 . . . . 0.0 101.77 171.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.9 m -128.02 152.57 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.751 0 CA-C-O 122.868 1.318 . . . . 0.0 108.801 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.7 mt -117.59 105.99 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 N-CA-C 101.095 -3.668 . . . . 0.0 101.095 168.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.86 124.79 53.1 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 103.597 -2.742 . . . . 0.0 103.597 174.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 48.48 31.96 3.11 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 128.659 2.784 . . . . 0.0 117.387 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.6 10.36 79.6 Favored Glycine 0 C--N 1.359 1.83 0 C-N-CA 126.195 1.855 . . . . 0.0 116.335 -175.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -110.26 126.65 54.4 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-N 120.005 1.903 . . . . 0.0 109.25 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.39 118.0 44.24 Favored 'Isoleucine or valine' 0 C--N 1.37 1.464 0 C-N-CA 124.724 1.21 . . . . 0.0 110.192 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.5 m -131.41 152.51 37.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 C-N-CA 125.752 1.621 . . . . 0.0 109.659 177.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.3 t -123.82 133.66 53.76 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 126.888 2.075 . . . . 0.0 105.59 176.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -169.45 160.14 9.02 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 123.929 0.892 . . . . 0.0 112.151 -171.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.39 132.54 60.42 Favored 'Isoleucine or valine' 0 C--N 1.361 1.09 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 177.049 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -130.4 -174.38 13.67 Favored Glycine 0 C--N 1.364 2.084 0 C-N-CA 124.413 1.006 . . . . 0.0 112.774 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -134.88 83.93 39.38 Favored Pre-proline 0 C--N 1.36 1.045 0 C-N-CA 126.861 2.064 . . . . 0.0 109.815 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -75.87 134.27 16.21 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 124.736 3.624 . . . . 0.0 115.087 -171.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.3 p -116.34 139.2 44.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.965 0 C-N-CA 124.775 1.23 . . . . 0.0 111.27 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 C--N 1.363 1.183 0 C-N-CA 127.181 2.193 . . . . 0.0 111.937 177.966 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 . . . . . 0 CA--C 1.53 0.18 0 N-CA-C 117.648 2.462 . . . . 0.0 117.648 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 75.9 mt -116.71 129.8 72.63 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 C-N-CA 127.573 2.349 . . . . 0.0 110.444 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.0 p -113.37 128.82 56.59 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 127.342 2.257 . . . . 0.0 107.843 170.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 53.6 ttt85 -124.5 137.79 54.39 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 120.382 -1.449 . . . . 0.0 111.566 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.806 HG23 HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.351 0.667 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 175.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.559 ' HB3' ' HE ' ' A' ' 111' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.509 0 CA-C-O 123.025 1.393 . . . . 0.0 108.653 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.31 115.88 49.64 Favored 'Isoleucine or valine' 0 C--N 1.365 1.239 0 N-CA-C 103.742 -2.688 . . . . 0.0 103.742 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 110' ' ' TYR . 33.7 mm -102.41 158.89 4.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 C-N-CA 125.776 1.631 . . . . 0.0 111.474 -167.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.72 109.46 16.12 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 125.423 1.489 . . . . 0.0 108.38 -178.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.604 ' CE2' HG22 ' A' ' 102' ' ' ILE . 40.5 m-85 -102.59 130.4 49.45 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 124.872 1.269 . . . . 0.0 112.844 -176.619 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -139.77 170.05 16.6 Favored 'General case' 0 C--N 1.374 1.667 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -173.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -141.73 165.86 26.33 Favored 'General case' 0 C--N 1.372 1.548 0 CA-C-O 122.337 1.065 . . . . 0.0 111.383 -176.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.5 t80 . . . . . 0 C--N 1.354 0.774 0 C-N-CA 127.124 2.17 . . . . 0.0 105.453 176.888 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 72.6 m95 . . . . . 0 N--CA 1.437 -1.089 0 N-CA-C 106.252 -1.758 . . . . 0.0 106.252 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.5 t -135.23 149.37 28.78 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 C-N-CA 127.472 2.309 . . . . 0.0 107.575 -173.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -95.75 136.2 36.47 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 126.279 1.832 . . . . 0.0 109.245 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -92.54 -55.89 3.23 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 124.987 1.315 . . . . 0.0 112.503 -172.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 6.0 p90 -168.88 176.88 5.25 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 -177.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -136.81 133.53 36.01 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 104.421 -2.437 . . . . 0.0 104.421 171.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.74 155.38 42.92 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.39 114.77 21.07 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 127.161 2.184 . . . . 0.0 105.216 173.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -166.69 155.0 10.14 Favored 'General case' 0 CA--C 1.476 -1.892 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 -163.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -97.29 108.44 21.16 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 104.162 -2.533 . . . . 0.0 104.162 171.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.517 HG22 HD13 ' A' ' 94' ' ' ILE . 2.1 t -123.37 98.42 5.55 Favored 'Isoleucine or valine' 0 C--N 1.364 1.211 1 N-CA-C 97.414 -5.032 . . . . 0.0 97.414 178.842 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -137.85 153.46 73.79 Favored Pre-proline 0 C--N 1.369 1.423 0 O-C-N 120.397 -1.44 . . . . 0.0 111.734 -167.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.19 140.94 38.43 Favored 'Trans proline' 0 C--N 1.367 1.534 1 C-N-CA 125.624 4.216 . . . . 0.0 113.908 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.31 57.8 mt . . . . . 0 C--N 1.365 1.265 1 C-N-CA 133.2 4.6 . . . . 0.0 115.988 179.53 . . . . . . . . 2 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.346 0 N-CA-C 108.531 -1.828 . . . . 0.0 108.531 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -127.66 143.53 51.15 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 125.799 1.639 . . . . 0.0 106.949 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -128.39 120.97 28.01 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 100.882 -3.748 . . . . 0.0 100.882 175.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.517 HD13 HG22 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -140.07 126.0 21.55 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 CA-C-O 122.87 1.319 . . . . 0.0 109.967 -166.782 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.295 0.1 OUTLIER -129.45 128.73 43.52 Favored 'General case' 0 C--N 1.369 1.414 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 171.61 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.4 t -139.75 157.16 70.4 Favored Pre-proline 0 C--N 1.347 0.49 0 C-N-CA 128.192 2.597 . . . . 0.0 106.715 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -71.71 144.89 45.12 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 123.814 3.009 . . . . 0.0 110.656 166.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.297 0.2 OUTLIER 6.01 22.99 0.0 OUTLIER 'General case' 0 C--N 1.359 0.98 2 C-N-CA 137.873 6.469 . . . . 0.0 125.376 -175.676 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -103.5 129.91 50.77 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 127.832 2.453 . . . . 0.0 109.414 175.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -105.61 15.5 26.87 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 127.279 2.232 . . . . 0.0 108.77 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.462 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 28.8 mmm180 -99.18 2.05 45.46 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 129.154 2.982 . . . . 0.0 118.113 -168.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.604 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -68.28 -73.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.139 0 C-N-CA 128.887 2.875 . . . . 0.0 114.704 173.397 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -120.96 124.51 45.08 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 126.512 1.925 . . . . 0.0 109.351 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -143.58 -71.33 0.3 Allowed 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 102.328 -3.212 . . . . 0.0 102.328 173.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.409 ' H ' ' HG3' ' A' ' 106' ' ' MET . 24.9 ttmm -162.98 77.75 0.45 Allowed 'General case' 0 N--CA 1.448 -0.531 1 N-CA-C 98.983 -4.451 . . . . 0.0 98.983 173.635 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.409 ' HG3' ' H ' ' A' ' 105' ' ' LYS . 82.5 mtp -149.16 -178.37 6.35 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 125.382 1.473 . . . . 0.0 108.595 -165.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -128.5 137.45 51.79 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 124.888 1.275 . . . . 0.0 108.411 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 72' ' ' VAL . 47.6 t -129.54 146.55 34.0 Favored 'Isoleucine or valine' 0 C--N 1.358 0.965 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 175.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.5 pt -121.16 111.39 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 171.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.411 ' HA ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -95.04 111.64 23.42 Favored 'General case' 0 C--N 1.373 1.587 0 C-N-CA 127.658 2.383 . . . . 0.0 104.8 173.085 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.559 ' HE ' ' HB3' ' A' ' 41' ' ' ASP . 98.2 mtt180 45.77 32.31 1.21 Allowed 'General case' 0 C--N 1.368 1.396 0 N-CA-C 118.549 2.796 . . . . 0.0 118.549 -177.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.54 5.41 65.05 Favored Glycine 0 C--N 1.361 1.958 0 C-N-CA 125.536 1.541 . . . . 0.0 115.744 -173.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -99.86 113.07 25.36 Favored 'General case' 0 C--N 1.365 1.246 0 CA-C-N 119.688 1.744 . . . . 0.0 109.797 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.729 ' H ' HD13 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -79.2 114.17 19.58 Favored 'Isoleucine or valine' 0 C--N 1.365 1.272 0 C-N-CA 130.593 3.557 . . . . 0.0 115.022 -176.838 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 25.1 t -131.69 137.79 54.33 Favored 'Isoleucine or valine' 0 C--N 1.362 1.14 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.7 t -118.26 129.65 55.59 Favored 'General case' 0 C--N 1.366 1.324 0 N-CA-C 104.497 -2.408 . . . . 0.0 104.497 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -158.19 161.36 37.83 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 -170.168 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.478 HD13 ' H ' ' A' ' 118' ' ' ILE . 0.2 OUTLIER -106.11 136.36 40.88 Favored 'Isoleucine or valine' 0 C--N 1.369 1.444 0 C-N-CA 127.67 2.388 . . . . 0.0 110.074 174.785 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -162.82 -178.13 36.39 Favored Glycine 0 C--N 1.365 2.163 0 O-C-N 119.912 -1.742 . . . . 0.0 111.148 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -151.81 127.5 4.98 Favored Pre-proline 0 C--N 1.369 1.428 0 CA-C-N 118.481 1.14 . . . . 0.0 109.467 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -93.53 159.0 2.42 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.859 3.706 . . . . 0.0 114.148 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 15.0 m -130.2 134.36 62.75 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 C-N-CA 126.118 1.767 . . . . 0.0 107.219 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 . . . . . 0 C--N 1.366 1.3 0 O-C-N 120.588 -1.32 . . . . 0.0 111.674 178.794 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 . . . . . 0 C--O 1.225 -0.226 0 CA-C-O 122.155 0.978 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 17.8 tt -112.55 129.16 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 O-C-N 120.337 -1.477 . . . . 0.0 111.064 -174.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.9 p -108.12 126.26 52.56 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 174.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -124.09 135.42 53.53 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 105.288 -2.116 . . . . 0.0 105.288 -175.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.519 HG21 HD11 ' A' ' 102' ' ' ILE . 2.2 tt . . . . . 0 C--N 1.349 0.577 0 CA-C-O 122.39 1.09 . . . . 0.0 109.351 -173.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 . . . . . 0 N--CA 1.467 0.408 0 CA-C-O 121.132 0.491 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.35 131.2 44.75 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 C-N-CA 126.195 1.798 . . . . 0.0 106.313 175.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.1 mp -126.03 151.82 32.67 Favored 'Isoleucine or valine' 0 C--N 1.363 1.177 0 C-N-CA 124.981 1.312 . . . . 0.0 108.272 -176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.51 112.51 19.04 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 123.543 0.737 . . . . 0.0 111.585 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.453 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 77.5 m-85 -101.23 128.81 47.19 Favored 'General case' 0 C--N 1.363 1.178 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -138.2 168.94 18.68 Favored 'General case' 0 C--N 1.373 1.605 0 C-N-CA 125.569 1.548 . . . . 0.0 113.261 173.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.3 t -138.67 167.41 22.03 Favored 'General case' 0 C--N 1.369 1.456 0 C-N-CA 125.724 1.61 . . . . 0.0 112.512 176.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.37 1.457 0 C-N-CA 128.796 2.838 . . . . 0.0 104.459 177.88 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 84.8 m95 . . . . . 0 CA--C 1.539 0.548 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 m -143.25 156.19 17.05 Favored 'Isoleucine or valine' 0 C--N 1.364 1.21 0 C-N-CA 127.761 2.425 . . . . 0.0 106.181 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -85.15 146.2 27.24 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 126.204 1.802 . . . . 0.0 112.216 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -99.23 -56.34 2.44 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 125.695 1.598 . . . . 0.0 111.735 -175.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.453 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 15.7 p90 -166.91 171.83 10.88 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 -179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.5 t -141.37 132.88 26.91 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 101.129 -3.656 . . . . 0.0 101.129 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.5 161.04 40.04 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -87.88 114.16 24.23 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 172.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.11 170.8 2.63 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 125.07 1.348 . . . . 0.0 107.463 -165.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . 0.279 44.7 t60 -141.04 130.74 24.16 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 123.82 1.771 . . . . 0.0 106.531 169.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.594 HG11 HG21 ' A' ' 108' ' ' VAL . 55.4 t -125.23 97.93 4.76 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 C-N-CA 128.625 2.77 . . . . 0.0 103.943 -166.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . 0.303 8.3 mt-30 -142.94 173.64 4.38 Favored Pre-proline 0 C--N 1.374 1.653 0 O-C-N 119.688 -1.882 . . . . 0.0 113.344 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.501 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 55.3 Cg_exo -61.4 157.08 42.67 Favored 'Trans proline' 0 CA--C 1.561 1.826 1 C-N-CA 126.416 4.744 . . . . 0.0 118.308 178.421 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.258 14.0 tt . . . . . 0 C--N 1.367 1.367 0 C-N-CA 129.838 3.255 . . . . 0.0 119.501 -177.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.243 0 CA-C-O 122.344 0.969 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 74' ' ' PRO . 14.6 m-85 -108.95 148.16 31.14 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 127.165 2.186 . . . . 0.0 112.454 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -134.9 119.96 18.69 Favored 'General case' 0 C--N 1.362 1.139 0 N-CA-C 104.324 -2.473 . . . . 0.0 104.324 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.566 HD12 HG13 ' A' ' 72' ' ' VAL . 3.8 mm -141.0 140.53 32.55 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 CA-C-N 114.434 -1.257 . . . . 0.0 112.762 -164.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.369 0.7 OUTLIER -131.31 137.76 48.94 Favored 'General case' 0 C--N 1.374 1.666 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 161.474 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.1 t -140.84 160.24 59.27 Favored Pre-proline 0 C--N 1.357 0.905 0 N-CA-C 105.28 -2.119 . . . . 0.0 105.28 175.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -66.87 131.25 25.12 Favored 'Trans proline' 0 C--N 1.365 1.416 0 C-N-CA 124.603 3.535 . . . . 0.0 109.755 162.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.432 1.6 t80 33.55 137.44 0.0 OUTLIER 'General case' 0 C--N 1.36 1.043 2 C-N-CA 135.349 5.46 . . . . 0.0 121.82 -172.986 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . 0.28 9.6 p-10 -58.88 90.22 0.01 OUTLIER 'General case' 0 C--N 1.367 1.349 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 -176.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -101.55 -124.84 0.18 Allowed 'General case' 0 C--N 1.354 0.789 0 C-N-CA 127.185 2.194 . . . . 0.0 105.678 173.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 73.3 mmt-85 -101.6 -51.84 3.36 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 119.548 -1.97 . . . . 0.0 115.562 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.442 ' HA ' ' CE1' ' A' ' 45' ' ' PHE 0.329 3.7 mp 71.01 -83.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.38 1.925 0 CA-C-N 121.718 2.054 . . . . 0.0 109.733 -174.445 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -110.04 -173.1 2.18 Favored 'General case' 0 C--N 1.348 0.524 1 C-N-CA 133.003 4.521 . . . . 0.0 109.449 173.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.8 tttm 94.91 56.71 0.0 OUTLIER 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.514 2.325 . . . . 0.0 111.656 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 67.6 tttt 80.26 38.78 0.09 Allowed 'General case' 0 C--N 1.365 1.257 0 C-N-CA 127.593 2.357 . . . . 0.0 110.768 -174.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 15.1 mmt -111.12 146.77 36.24 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 122.439 1.114 . . . . 0.0 110.028 -176.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -112.04 106.56 15.25 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 101.838 -3.393 . . . . 0.0 101.838 173.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.594 HG21 HG11 ' A' ' 72' ' ' VAL . 3.3 p -110.48 144.91 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.309 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -175.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.561 HG22 ' H ' ' A' ' 112' ' ' GLY . 30.7 mt -114.29 106.61 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.621 0 O-C-N 124.869 1.356 . . . . 0.0 107.968 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.27 83.54 4.25 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 169.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 58.66 44.24 17.68 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.083 2.153 . . . . 0.0 116.32 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.561 ' H ' HG22 ' A' ' 109' ' ' ILE . . . 92.87 23.25 25.99 Favored Glycine 0 C--N 1.36 1.862 0 C-N-CA 125.529 1.538 . . . . 0.0 116.324 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -118.69 101.83 8.4 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 125.589 1.555 . . . . 0.0 107.941 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.576 ' H ' HD13 ' A' ' 114' ' ' ILE . 0.1 OUTLIER -85.93 106.51 15.52 Favored 'Isoleucine or valine' 0 C--N 1.377 1.769 0 C-N-CA 127.488 2.315 . . . . 0.0 113.0 -177.652 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.8 t -118.76 132.89 67.31 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 O-C-N 120.201 -1.562 . . . . 0.0 109.016 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.2 m -99.96 118.37 36.22 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 125.912 1.685 . . . . 0.0 109.121 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.57 159.45 43.42 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 -174.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.41 136.57 60.41 Favored 'Isoleucine or valine' 0 C--N 1.362 1.113 0 C-N-CA 129.458 3.103 . . . . 0.0 109.07 -177.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 166.15 -168.51 39.89 Favored Glycine 0 C--N 1.366 2.207 0 N-CA-C 105.374 -3.09 . . . . 0.0 105.374 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -153.52 140.08 12.73 Favored Pre-proline 0 C--N 1.372 1.557 0 CA-C-N 121.354 2.577 . . . . 0.0 112.119 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -93.55 159.69 2.4 Favored 'Trans proline' 0 CA--C 1.549 1.268 1 C-N-CA 126.552 4.834 . . . . 0.0 114.782 176.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 17.0 m -127.88 149.16 32.58 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 128.65 2.78 . . . . 0.0 107.918 174.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.361 1.1 0 O-C-N 119.07 -2.269 . . . . 0.0 112.165 176.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . 0.319 24.8 tt0 . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 13.0 mt -125.12 143.02 40.18 Favored 'Isoleucine or valine' 0 C--N 1.36 1.052 0 CA-C-O 123.606 1.67 . . . . 0.0 113.266 -171.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 9.7 t -102.72 134.77 45.54 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 127.806 2.442 . . . . 0.0 109.202 166.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -109.41 119.0 38.11 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 129.121 2.968 . . . . 0.0 103.273 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.416 HG23 ' HB ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.496 ' HB2' ' CE1' ' A' ' 71' ' ' HIS . 27.4 m-20 . . . . . 0 CA--C 1.5 -0.95 0 N-CA-C 103.37 -2.826 . . . . 0.0 103.37 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.2 m -96.73 144.24 10.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 O-C-N 121.323 -0.86 . . . . 0.0 111.557 -174.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.481 HG22 ' H ' ' A' ' 111' ' ' ARG . 13.1 pt -147.62 160.72 7.91 Favored 'Isoleucine or valine' 0 C--N 1.371 1.527 0 C-N-CA 127.071 2.148 . . . . 0.0 108.624 178.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.1 m -117.64 127.78 54.29 Favored 'General case' 0 C--N 1.385 2.12 0 C-N-CA 124.058 0.943 . . . . 0.0 111.522 -177.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.478 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 77.3 m-85 -106.4 130.0 54.29 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.766 1.226 . . . . 0.0 112.991 178.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -129.42 155.63 45.38 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 128.258 2.623 . . . . 0.0 110.547 -175.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.3 m -135.68 155.75 49.92 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 126.036 1.734 . . . . 0.0 108.416 173.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 . . . . . 0 C--N 1.364 1.23 0 C-N-CA 127.619 2.368 . . . . 0.0 109.626 -176.621 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 29.2 m95 . . . . . 0 N--CA 1.444 -0.738 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.48 164.16 31.8 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -89.54 146.07 24.84 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 124.361 1.065 . . . . 0.0 110.547 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -97.05 -59.81 1.71 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 123.775 0.83 . . . . 0.0 109.622 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.546 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 4.4 p90 -167.18 171.73 10.59 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 t -132.22 132.85 43.5 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 101.661 -3.459 . . . . 0.0 101.661 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.2 164.04 38.17 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -177.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -87.82 113.93 23.95 Favored 'General case' 0 C--N 1.372 1.566 0 N-CA-C 105.235 -2.135 . . . . 0.0 105.235 168.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.439 ' HB2' HG23 ' A' ' 96' ' ' THR . . . -169.26 170.5 8.54 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 104.98 -2.23 . . . . 0.0 104.98 -170.093 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.496 ' CE1' ' HB2' ' A' ' 41' ' ' ASP 0.267 0.1 OUTLIER -146.1 136.21 23.67 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 169.625 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.606 HG22 HG12 ' A' ' 94' ' ' ILE . 8.0 t -108.62 101.54 12.7 Favored 'Isoleucine or valine' 0 C--N 1.365 1.263 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 -176.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -112.85 132.55 22.25 Favored Pre-proline 0 C--N 1.36 1.039 0 O-C-N 118.136 -2.852 . . . . 0.0 112.342 -170.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.04 128.76 13.41 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 122.799 2.333 . . . . 0.0 111.936 172.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.9 mt . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 178.79 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.479 -2.212 0 CA-C-O 122.771 1.206 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.406 ' CD1' HG12 ' A' ' 72' ' ' VAL . 16.5 m-85 -123.09 126.86 47.87 Favored 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 125.101 1.36 . . . . 0.0 111.486 -178.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -109.3 119.56 39.85 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 103.219 -2.882 . . . . 0.0 103.219 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.606 HG12 HG22 ' A' ' 72' ' ' VAL . 2.7 mp -129.47 148.88 33.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 O-C-N 119.895 -1.753 . . . . 0.0 112.176 -170.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.267 0.0 OUTLIER -129.39 139.55 51.64 Favored 'General case' 0 C--N 1.363 1.163 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 168.524 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.444 HG21 ' HB2' ' A' ' 99' ' ' ASP . 52.4 m -139.6 138.12 19.72 Favored Pre-proline 0 C--N 1.353 0.734 0 N-CA-C 101.392 -3.559 . . . . 0.0 101.392 170.106 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.54 125.04 12.26 Favored 'Trans proline' 0 C--N 1.365 1.404 0 CA-C-N 126.861 3.486 . . . . 0.0 108.202 169.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.416 0.5 OUTLIER 34.99 17.58 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.583 2 C-N-CA 135.516 5.526 . . . . 0.0 122.006 -170.702 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.444 ' HB2' HG21 ' A' ' 96' ' ' THR . 56.5 m-20 -103.54 128.58 50.74 Favored 'General case' 0 C--N 1.36 1.05 0 O-C-N 119.567 -1.958 . . . . 0.0 109.936 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -110.31 23.0 14.85 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 126.011 1.724 . . . . 0.0 113.327 -174.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.546 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 36.3 mmt180 -94.45 -50.08 5.38 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 116.691 2.108 . . . . 0.0 116.691 -171.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.456 HD13 HG13 ' A' ' 133' ' ' ILE . 4.1 mp -0.9 -71.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.379 1.862 1 C-N-CA 132.57 4.348 . . . . 0.0 121.372 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -124.59 112.1 16.43 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 126.317 1.847 . . . . 0.0 106.767 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 80.4 tttt 178.22 56.03 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.268 62.8 mttp 73.37 50.79 0.13 Allowed 'General case' 0 C--N 1.364 1.198 0 C-N-CA 128.635 2.774 . . . . 0.0 111.901 -175.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 23.5 ptp -160.81 -172.03 3.33 Favored 'General case' 0 C--N 1.361 1.102 0 O-C-N 121.989 -0.444 . . . . 0.0 111.913 -174.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -137.08 139.7 41.48 Favored 'General case' 0 C--N 1.362 1.138 0 CA-C-O 123.952 1.834 . . . . 0.0 115.684 -174.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.436 HG11 HG21 ' A' ' 72' ' ' VAL . 7.6 p -115.25 137.22 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-O 123.411 1.577 . . . . 0.0 109.082 176.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.1 tt -102.43 105.82 18.79 Favored 'Isoleucine or valine' 0 C--N 1.364 1.204 0 N-CA-C 101.036 -3.69 . . . . 0.0 101.036 163.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -96.82 106.78 19.15 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 129.555 3.142 . . . . 0.0 105.399 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.481 ' H ' HG22 ' A' ' 43' ' ' ILE . 2.4 tpm_? 45.21 32.99 1.05 Allowed 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 118.449 2.759 . . . . 0.0 118.449 178.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.24 4.71 64.29 Favored Glycine 0 C--N 1.367 2.281 0 C-N-CA 127.622 2.535 . . . . 0.0 116.54 -171.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -110.16 118.42 36.32 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 119.986 1.893 . . . . 0.0 109.139 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 10.7 tt -92.61 106.47 17.88 Favored 'Isoleucine or valine' 0 C--N 1.365 1.262 0 CA-C-O 123.709 1.718 . . . . 0.0 111.417 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.99 164.08 36.25 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 C-N-CA 129.379 3.072 . . . . 0.0 113.569 -173.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . 0.68 44.7 p 120.85 -118.77 0.0 OUTLIER 'General case' 0 C--N 1.376 1.752 1 N-CA-C 122.94 4.422 . . . . 0.0 122.94 161.701 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . 0.605 2.7 m-85 90.59 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.355 0.824 0 C-N-CA 129.378 3.071 . . . . 0.0 118.597 -175.074 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 10.9 mm -96.52 108.62 21.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 CA-C-N 122.606 2.457 . . . . 0.0 115.24 -175.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.62 174.85 21.6 Favored Glycine 0 C--N 1.368 2.354 0 C-N-CA 125.22 1.39 . . . . 0.0 114.079 173.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -135.01 134.54 21.8 Favored Pre-proline 0 C--N 1.371 1.521 0 C-N-CA 126.877 2.071 . . . . 0.0 112.62 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -91.4 141.43 2.77 Favored 'Trans proline' 0 C--N 1.367 1.548 0 C-N-CA 124.858 3.705 . . . . 0.0 116.835 -176.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.1 t -132.01 144.26 37.71 Favored 'Isoleucine or valine' 0 C--N 1.376 1.735 0 C-N-CA 127.811 2.444 . . . . 0.0 107.878 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.366 1.304 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 174.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . 0.371 14.7 tp10 . . . . . 0 N--CA 1.463 0.2 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.4 mm -106.47 125.51 62.26 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 O-C-N 119.385 -2.072 . . . . 0.0 112.871 -177.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 78.7 m -106.82 135.9 47.58 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 125.309 1.443 . . . . 0.0 108.015 171.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -121.29 129.26 53.03 Favored 'General case' 0 C--N 1.371 1.537 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 174.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.456 HG13 HD13 ' A' ' 102' ' ' ILE . 45.6 mm . . . . . 0 C--N 1.35 0.619 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 C--O 1.24 0.558 0 CA-C-O 121.98 0.895 . . . . 0.0 113.262 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.5 t -97.37 115.69 37.78 Favored 'Isoleucine or valine' 0 C--N 1.376 1.749 0 C-N-CA 127.357 2.263 . . . . 0.0 104.985 174.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.445 ' CG2' HH12 ' A' ' 101' ' ' ARG 0.254 24.3 mt -111.77 166.83 5.79 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 O-C-N 120.15 -1.594 . . . . 0.0 109.898 -171.359 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.5 m -122.08 106.9 11.6 Favored 'General case' 0 C--N 1.372 1.546 0 O-C-N 119.92 -1.738 . . . . 0.0 113.133 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -82.06 139.22 34.59 Favored 'General case' 0 C--N 1.37 1.469 0 O-C-N 120.602 -1.311 . . . . 0.0 113.571 165.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -131.68 148.83 52.62 Favored 'General case' 0 C--N 1.381 1.974 0 C-N-CA 127.456 2.303 . . . . 0.0 109.432 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.3 t -121.93 166.14 14.88 Favored 'General case' 0 C--N 1.363 1.174 0 O-C-N 119.802 -1.811 . . . . 0.0 110.39 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.3 t80 . . . . . 0 C--N 1.358 0.974 0 C-N-CA 126.592 1.957 . . . . 0.0 109.18 -176.252 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.9 m95 . . . . . 0 N--CA 1.445 -0.684 0 CA-C-O 122.394 1.092 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.4 t -124.06 147.65 28.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 C-N-CA 126.486 1.914 . . . . 0.0 107.533 -173.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -57.36 127.39 31.77 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 128.443 2.697 . . . . 0.0 113.031 177.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -99.3 -59.31 1.75 Allowed 'General case' 0 C--N 1.359 0.99 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.449 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 41.8 p90 -163.42 164.87 24.43 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 t -126.88 132.8 50.84 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.72 ' HB3' ' HE ' ' A' ' 101' ' ' ARG . . . -156.72 165.55 35.92 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.66 -176.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.8 139.55 30.35 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 124.87 1.268 . . . . 0.0 111.93 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.51 ' HB2' ' CD ' ' A' ' 101' ' ' ARG . . . -172.93 170.73 4.44 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-O 122.503 1.144 . . . . 0.0 108.394 -172.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -103.06 107.17 17.87 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 103.885 -2.635 . . . . 0.0 103.885 166.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.45 HG21 HG21 ' A' ' 108' ' ' VAL . 3.1 t -116.18 106.44 20.36 Favored 'Isoleucine or valine' 0 C--N 1.365 1.264 1 N-CA-C 96.75 -5.278 . . . . 0.0 96.75 175.299 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -130.75 162.71 53.46 Favored Pre-proline 0 C--N 1.361 1.105 0 O-C-N 119.186 -2.197 . . . . 0.0 111.105 -171.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.2 144.28 46.09 Favored 'Trans proline' 0 C--N 1.358 1.053 0 C-N-CA 124.375 3.384 . . . . 0.0 111.931 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.359 1.016 0 C-N-CA 127.562 2.345 . . . . 0.0 115.338 -179.769 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.448 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -118.15 156.93 27.86 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 124.989 2.328 . . . . 0.0 107.59 174.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -125.26 120.92 32.57 Favored 'General case' 0 N--CA 1.428 -1.56 0 C-N-CA 130.717 3.607 . . . . 0.0 103.889 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.541 HG23 HG23 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -125.66 141.02 46.73 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 O-C-N 119.528 -1.982 . . . . 0.0 109.372 176.285 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -129.16 139.75 51.8 Favored 'General case' 0 C--N 1.363 1.184 0 N-CA-C 104.385 -2.45 . . . . 0.0 104.385 165.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.94 159.04 68.63 Favored Pre-proline 0 C--O 1.242 0.686 1 N-CA-C 97.857 -4.868 . . . . 0.0 97.857 171.759 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -67.24 124.84 12.64 Favored 'Trans proline' 0 C--N 1.362 1.268 0 C-N-CA 123.729 2.953 . . . . 0.0 109.179 172.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.495 ' H ' ' HA ' ' A' ' 130' ' ' ILE 0.329 0.1 OUTLIER 51.26 -166.99 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.508 1 C-N-CA 133.322 4.649 . . . . 0.0 116.804 -171.133 . . . . . . . . 5 4 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -80.96 90.65 5.96 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 129.37 3.068 . . . . 0.0 107.498 174.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -137.91 -67.7 0.47 Allowed 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 121.028 -1.045 . . . . 0.0 108.499 -172.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.72 ' HE ' ' HB3' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -97.78 -53.73 3.32 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -171.696 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -6.89 109.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.246 1 N-CA-C 124.154 4.872 . . . . 0.0 124.154 170.678 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -105.59 163.94 12.28 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 119.996 -1.69 . . . . 0.0 113.6 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -112.35 -106.69 0.37 Allowed 'General case' 0 C--N 1.364 1.227 0 C-N-CA 127.227 2.211 . . . . 0.0 110.845 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -79.44 86.91 5.09 Favored 'General case' 0 C--N 1.369 1.417 0 O-C-N 119.288 -2.133 . . . . 0.0 109.357 176.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.45 -169.09 1.5 Allowed 'General case' 0 C--N 1.356 0.852 0 CA-C-N 113.868 -1.515 . . . . 0.0 106.954 -162.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -139.92 164.41 30.06 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 123.107 1.432 . . . . 0.0 109.567 173.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.45 HG21 HG21 ' A' ' 72' ' ' VAL . 13.0 p -137.87 141.31 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.222 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 178.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.1 mm -109.4 105.4 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 N-CA-C 102.151 -3.277 . . . . 0.0 102.151 170.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -96.35 102.57 14.37 Favored 'General case' 0 N--CA 1.434 -1.273 0 C-N-CA 129.025 2.93 . . . . 0.0 108.464 175.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 52.47 32.84 12.06 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.942 2.497 . . . . 0.0 117.262 177.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.04 -1.04 69.9 Favored Glycine 0 C--N 1.362 2.01 0 C-N-CA 126.812 2.149 . . . . 0.0 116.652 -170.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -92.25 125.1 36.77 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 120.062 1.931 . . . . 0.0 111.662 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 21.0 pt -80.51 106.72 12.03 Favored 'Isoleucine or valine' 0 C--N 1.367 1.331 0 C-N-CA 128.676 2.79 . . . . 0.0 112.175 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 43.3 t -128.08 102.42 8.55 Favored 'Isoleucine or valine' 0 C--N 1.36 1.035 0 C-N-CA 125.371 1.469 . . . . 0.0 108.666 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 45.1 m -94.52 128.43 41.11 Favored 'General case' 0 C--N 1.379 1.855 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 173.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -141.56 158.98 43.15 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -176.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 6.1 pt -124.62 122.69 64.35 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 CA-C-N 114.366 -1.288 . . . . 0.0 107.722 173.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -170.93 -166.86 30.44 Favored Glycine 0 C--N 1.362 1.973 0 N-CA-C 110.174 -1.171 . . . . 0.0 110.174 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -154.79 146.23 16.78 Favored Pre-proline 0 C--N 1.363 1.166 0 C-N-CA 125.579 1.551 . . . . 0.0 108.673 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -90.03 158.41 4.87 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 124.148 3.232 . . . . 0.0 113.826 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.4 p -132.23 136.89 55.69 Favored 'Isoleucine or valine' 0 C--N 1.363 1.17 0 C-N-CA 125.91 1.684 . . . . 0.0 109.232 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 . . . . . 0 C--N 1.364 1.216 0 C-N-CA 125.706 1.602 . . . . 0.0 112.156 177.114 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 121.611 0.719 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.495 ' HA ' ' H ' ' A' ' 98' ' ' TYR . 20.4 tt -150.39 119.06 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-O 123.048 1.404 . . . . 0.0 112.208 -178.139 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.286 67.9 p -99.37 141.88 31.58 Favored 'General case' 0 C--N 1.368 1.412 0 CA-C-O 123.753 1.739 . . . . 0.0 109.053 161.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -120.63 137.59 54.36 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 111.177 -2.738 . . . . 0.0 105.017 171.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.541 HG23 HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.6 0 CA-C-O 122.995 1.379 . . . . 0.0 108.225 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 . . . . . 0 N--CA 1.471 0.617 0 CA-C-O 120.925 0.393 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 m -97.18 119.77 45.66 Favored 'Isoleucine or valine' 0 C--N 1.366 1.302 0 CA-C-O 124.611 2.148 . . . . 0.0 112.367 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.28 163.47 20.62 Favored 'Isoleucine or valine' 0 C--N 1.36 1.043 0 C-N-CA 126.984 2.114 . . . . 0.0 112.465 -173.012 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.5 m -119.17 112.89 20.07 Favored 'General case' 0 C--N 1.379 1.851 0 C-N-CA 123.866 0.866 . . . . 0.0 110.527 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.473 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 86.8 m-85 -102.16 128.25 48.74 Favored 'General case' 0 C--N 1.36 1.05 0 O-C-N 121.501 -0.749 . . . . 0.0 111.192 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -121.69 164.88 16.63 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 127.329 2.252 . . . . 0.0 111.48 -176.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.8 t -147.68 164.31 33.94 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.009 1.723 . . . . 0.0 108.914 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.364 1.198 0 C-N-CA 125.908 1.683 . . . . 0.0 110.231 -176.828 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 74.6 m95 . . . . . 0 CA--C 1.542 0.67 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 m -137.28 169.76 18.94 Favored 'Isoleucine or valine' 0 C--N 1.363 1.158 0 C-N-CA 125.343 1.457 . . . . 0.0 108.68 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -95.55 144.29 26.14 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 124.326 1.05 . . . . 0.0 109.6 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -91.18 -53.66 4.27 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 125.171 1.388 . . . . 0.0 110.424 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.473 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 3.2 p90 -167.94 172.88 8.59 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 105.998 -1.853 . . . . 0.0 105.998 -178.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.5 p -132.82 132.33 42.05 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 100.295 -3.965 . . . . 0.0 100.295 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.28 164.83 36.06 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 -174.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.94 114.42 21.21 Favored 'General case' 0 C--N 1.371 1.518 0 N-CA-C 106.344 -1.724 . . . . 0.0 106.344 167.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -166.57 142.09 4.49 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 121.29 -0.881 . . . . 0.0 110.346 -164.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -116.31 120.31 38.5 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.249 -1.532 . . . . 0.0 110.92 175.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.664 HG12 ' CD2' ' A' ' 92' ' ' TYR . 59.2 t -115.76 104.38 16.66 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 N-CA-C 102.686 -3.079 . . . . 0.0 102.686 173.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -119.5 152.19 52.64 Favored Pre-proline 0 C--N 1.366 1.31 0 CA-C-N 122.371 2.351 . . . . 0.0 112.695 -176.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.6 147.69 51.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.467 3.444 . . . . 0.0 115.302 -177.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.367 1.348 0 C-N-CA 127.558 2.343 . . . . 0.0 112.635 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.944 0 N-CA-C 104.974 -3.251 . . . . 0.0 104.974 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.664 ' CD2' HG12 ' A' ' 72' ' ' VAL . 17.2 m-85 -119.03 137.44 53.54 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -177.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -115.86 122.95 46.9 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.364 1.466 . . . . 0.0 107.675 174.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.522 HG13 ' H ' ' A' ' 133' ' ' ILE . 0.6 OUTLIER -115.08 143.57 24.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 O-C-N 119.992 -1.692 . . . . 0.0 111.221 -174.136 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.41 115.41 20.24 Favored 'General case' 0 C--N 1.366 1.322 0 N-CA-C 101.461 -3.533 . . . . 0.0 101.461 171.316 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.7 m -141.45 148.31 50.02 Favored Pre-proline 0 C--N 1.355 0.84 0 O-C-N 118.56 -2.588 . . . . 0.0 107.86 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.83 129.35 17.37 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 124.619 3.546 . . . . 0.0 111.344 171.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.383 1.6 t80 20.69 17.41 0.0 OUTLIER 'General case' 0 C--N 1.365 1.247 2 C-N-CA 136.04 5.736 . . . . 0.0 122.935 -172.843 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -100.69 134.68 43.29 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 126.422 1.889 . . . . 0.0 111.391 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.56 23.39 9.61 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.646 1.978 . . . . 0.0 108.501 177.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.4 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 92.2 mtt180 -97.19 -3.46 40.87 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.986 2.115 . . . . 0.0 114.554 -172.018 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.46 ' H ' HD12 ' A' ' 102' ' ' ILE . 4.4 mp -58.68 -72.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 130.192 3.397 . . . . 0.0 114.539 -178.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.54 ' HB2' HD11 ' A' ' 133' ' ' ILE . 18.4 m-20 -130.37 166.49 20.32 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 177.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.1 tptm 131.59 55.92 0.0 OUTLIER 'General case' 0 C--N 1.352 0.694 0 C-N-CA 130.946 3.698 . . . . 0.0 105.481 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.275 72.7 tttt 89.95 50.74 0.01 OUTLIER 'General case' 0 C--N 1.365 1.248 0 C-N-CA 128.541 2.736 . . . . 0.0 114.582 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.4 ptp -155.78 175.23 14.19 Favored 'General case' 0 C--N 1.373 1.587 0 O-C-N 120.643 -1.286 . . . . 0.0 113.997 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -104.76 123.28 47.38 Favored 'General case' 0 C--N 1.378 1.82 0 O-C-N 119.831 -1.793 . . . . 0.0 112.433 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' A' ' 115' ' ' VAL . 54.2 t -115.83 124.85 72.65 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 O-C-N 120.327 -1.483 . . . . 0.0 111.946 -172.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 35.1 mm -112.98 107.06 22.02 Favored 'Isoleucine or valine' 0 C--N 1.378 1.81 0 CA-C-O 122.087 0.946 . . . . 0.0 111.428 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -95.66 91.53 6.16 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 129.728 3.211 . . . . 0.0 109.28 171.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 48.06 36.08 5.97 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 128.761 2.824 . . . . 0.0 116.881 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.74 -1.66 71.84 Favored Glycine 0 C--N 1.359 1.831 0 C-N-CA 125.907 1.718 . . . . 0.0 117.001 -170.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.38 127.95 38.05 Favored 'General case' 0 C--N 1.367 1.333 0 CA-C-N 120.278 2.039 . . . . 0.0 110.276 177.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.0 mm -84.04 120.8 35.58 Favored 'Isoleucine or valine' 0 C--N 1.366 1.291 0 C-N-CA 126.578 1.951 . . . . 0.0 113.908 -175.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' A' ' 108' ' ' VAL . 59.9 t -115.77 128.32 73.06 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 N-CA-C 104.651 -2.351 . . . . 0.0 104.651 174.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.4 m -110.2 109.67 20.24 Favored 'General case' 0 C--N 1.371 1.537 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -168.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . 0.362 2.6 m-85 64.41 -67.56 0.11 Allowed 'General case' 0 C--N 1.363 1.172 1 N-CA-C 122.933 4.42 . . . . 0.0 122.933 162.739 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 23.7 pt -77.96 137.55 21.97 Favored 'Isoleucine or valine' 0 C--N 1.362 1.126 0 N-CA-C 119.388 3.107 . . . . 0.0 119.388 -170.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.97 151.59 7.13 Favored Glycine 0 C--N 1.36 1.909 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 170.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -114.56 139.5 24.07 Favored Pre-proline 0 C--N 1.366 1.283 0 CA-C-N 119.929 1.865 . . . . 0.0 111.983 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -88.17 144.24 5.92 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 125.101 3.867 . . . . 0.0 116.297 -176.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.0 t -132.49 135.84 57.07 Favored 'Isoleucine or valine' 0 C--N 1.37 1.481 0 C-N-CA 128.45 2.7 . . . . 0.0 109.458 174.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 . . . . . 0 C--N 1.367 1.34 0 N-CA-C 104.549 -2.389 . . . . 0.0 104.549 171.084 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 . . . . . 0 CA--C 1.528 0.129 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.7 tp -97.99 131.01 45.89 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 C-N-CA 125.793 1.637 . . . . 0.0 113.552 -176.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.1 m -123.13 141.39 52.02 Favored 'General case' 0 C--N 1.365 1.247 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -124.91 138.48 54.24 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 126.358 1.863 . . . . 0.0 111.231 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.54 HD11 ' HB2' ' A' ' 103' ' ' ASP 0.277 0.7 OUTLIER . . . . . 0 C--N 1.355 0.839 0 O-C-N 119.423 -2.048 . . . . 0.0 105.903 174.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 N--CA 1.463 0.202 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -96.55 133.18 38.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-O 124.242 1.972 . . . . 0.0 112.606 -173.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.8 mt -128.56 142.16 44.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.085 0 C-N-CA 128.359 2.664 . . . . 0.0 105.445 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.6 113.69 26.51 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 124.601 1.161 . . . . 0.0 109.447 -177.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -101.24 123.98 46.22 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -172.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -121.27 157.15 30.96 Favored 'General case' 0 C--N 1.38 1.896 0 C-N-CA 126.891 2.076 . . . . 0.0 112.195 -177.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.1 p -134.3 154.75 51.13 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 126.464 1.906 . . . . 0.0 112.74 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.363 1.188 0 N-CA-C 103.119 -2.919 . . . . 0.0 103.119 178.1 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 99.3 m95 . . . . . 0 N--CA 1.451 -0.419 0 CA-C-O 122.695 1.236 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.3 p -143.41 159.18 17.13 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -84.0 139.84 32.28 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.642 1.577 . . . . 0.0 108.221 173.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -92.28 -51.74 5.01 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 124.304 1.042 . . . . 0.0 108.864 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -172.08 175.35 3.79 Favored 'General case' 0 C--N 1.361 1.08 0 N-CA-C 105.796 -1.928 . . . . 0.0 105.796 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.6 t -136.05 132.81 36.69 Favored 'General case' 0 CA--C 1.512 -0.504 1 N-CA-C 99.772 -4.159 . . . . 0.0 99.772 176.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.46 164.27 37.62 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -176.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.57 113.75 22.73 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 169.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -163.43 169.18 19.27 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.19 -1.368 . . . . 0.0 108.29 -167.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -129.45 117.25 20.23 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 125.403 1.481 . . . . 0.0 111.008 174.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.446 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 93.2 t -109.4 99.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.376 1.734 0 C-N-CA 129.037 2.935 . . . . 0.0 105.816 172.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -118.63 135.87 23.87 Favored Pre-proline 0 C--N 1.368 1.404 0 C-N-CA 128.096 2.558 . . . . 0.0 111.347 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.57 155.47 59.22 Favored 'Trans proline' 0 CA--C 1.555 1.557 0 C-N-CA 125.088 3.859 . . . . 0.0 116.154 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.367 1.5 mt . . . . . 0 C--N 1.376 1.732 0 C-N-CA 128.691 2.797 . . . . 0.0 111.998 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.486 -1.754 0 CA-C-O 121.486 0.492 . . . . 0.0 113.794 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -130.28 148.98 52.16 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -107.14 118.55 37.0 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 100.867 -3.753 . . . . 0.0 100.867 174.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.446 ' CD1' ' HA ' ' A' ' 72' ' ' VAL . 49.5 mm -130.33 137.48 56.21 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.437 0 CA-C-N 114.328 -1.305 . . . . 0.0 109.47 -170.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -127.56 117.86 22.86 Favored 'General case' 0 C--N 1.358 0.948 1 N-CA-C 99.962 -4.088 . . . . 0.0 99.962 164.106 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.9 m -138.31 122.67 11.74 Favored Pre-proline 0 C--N 1.357 0.896 0 N-CA-C 104.641 -2.355 . . . . 0.0 104.641 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -62.76 124.87 14.87 Favored 'Trans proline' 0 C--N 1.386 2.515 0 C-N-CA 124.467 3.445 . . . . 0.0 110.425 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.414 5.3 t80 20.29 26.88 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.276 2 C-N-CA 132.974 4.51 . . . . 0.0 121.858 -168.532 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -103.71 126.26 50.73 Favored 'General case' 0 C--N 1.361 1.102 0 O-C-N 119.776 -1.828 . . . . 0.0 108.378 174.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.57 9.83 40.84 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 126.925 2.09 . . . . 0.0 109.465 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -102.44 0.72 34.25 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 120.187 3.403 . . . . 0.0 120.187 -170.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 pp -63.38 -46.46 95.33 Favored 'Isoleucine or valine' 0 C--N 1.389 2.322 0 CA-C-N 125.717 3.871 . . . . 0.0 113.685 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -133.84 113.33 12.13 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 128.042 2.537 . . . . 0.0 110.211 172.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -169.61 57.62 0.04 OUTLIER 'General case' 0 C--N 1.347 0.484 0 N-CA-C 102.586 -3.116 . . . . 0.0 102.586 175.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt 72.5 65.25 0.12 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 130.463 3.505 . . . . 0.0 110.755 -174.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.7 mmt -133.2 171.56 13.85 Favored 'General case' 0 C--N 1.363 1.17 0 CA-C-O 122.645 1.212 . . . . 0.0 112.93 -170.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -129.0 130.85 47.18 Favored 'General case' 0 C--N 1.367 1.36 0 N-CA-C 104.502 -2.407 . . . . 0.0 104.502 170.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.51 151.01 35.22 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 O-C-N 119.619 -1.925 . . . . 0.0 109.235 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.8 mt -112.16 107.79 23.85 Favored 'Isoleucine or valine' 0 C--N 1.363 1.16 0 N-CA-C 105.613 -1.995 . . . . 0.0 105.613 170.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -97.81 88.25 4.24 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 131.07 3.748 . . . . 0.0 106.527 172.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 58.78 39.9 23.63 Favored 'General case' 0 C--N 1.366 1.318 0 N-CA-C 118.286 2.698 . . . . 0.0 118.286 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.89 -9.49 75.35 Favored Glycine 0 C--N 1.358 1.757 0 C-N-CA 126.294 1.902 . . . . 0.0 114.843 -175.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -89.07 121.41 31.38 Favored 'General case' 0 C--N 1.359 1.019 0 C-N-CA 125.037 1.335 . . . . 0.0 110.212 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 24.9 pt -90.31 120.56 39.37 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 C-N-CA 126.609 1.963 . . . . 0.0 110.645 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.36 137.37 57.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 C-N-CA 127.231 2.213 . . . . 0.0 108.226 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.0 t -130.24 132.27 45.89 Favored 'General case' 0 C--N 1.365 1.277 0 N-CA-C 104.1 -2.555 . . . . 0.0 104.1 173.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.38 154.36 12.14 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -171.341 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 68.8 mt -81.23 -71.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.732 0 C-N-CA 125.713 1.605 . . . . 0.0 111.497 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.4 168.69 40.17 Favored Glycine 0 C--N 1.368 2.333 0 N-CA-C 119.271 2.469 . . . . 0.0 119.271 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.448 ' H ' HD13 ' A' ' 133' ' ' ILE . 24.0 t70 -162.57 79.03 1.85 Allowed Pre-proline 0 C--N 1.37 1.48 0 C-N-CA 125.086 1.354 . . . . 0.0 113.183 177.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -77.13 137.24 17.0 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 125.217 3.945 . . . . 0.0 116.097 -174.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.0 t -112.27 123.46 68.02 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 C-N-CA 126.425 1.89 . . . . 0.0 108.042 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 131' ' ' THR . 2.9 m-20 . . . . . 0 C--N 1.364 1.209 0 C-N-CA 126.787 2.035 . . . . 0.0 109.284 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 46.1 mm -114.34 126.18 71.8 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 O-C-N 119.252 -2.155 . . . . 0.0 114.808 -170.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 123' ' ' ASP . 96.9 m -116.05 127.07 54.59 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 104.301 -2.481 . . . . 0.0 104.301 167.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -124.13 137.48 54.55 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 125.742 1.617 . . . . 0.0 112.028 -172.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.448 HD13 ' H ' ' A' ' 120' ' ' ASP 0.304 0.3 OUTLIER . . . . . 0 C--N 1.36 1.03 0 O-C-N 119.687 -1.883 . . . . 0.0 107.638 176.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 C--O 1.235 0.309 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.17 115.33 36.53 Favored 'Isoleucine or valine' 0 C--N 1.359 0.983 0 CA-C-O 123.445 1.593 . . . . 0.0 110.057 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.434 HG12 ' HA ' ' A' ' 110' ' ' TYR 0.262 1.0 OUTLIER -118.03 171.36 6.44 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 C-N-CA 127.189 2.195 . . . . 0.0 110.821 -172.899 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.4 m -109.23 117.09 33.21 Favored 'General case' 0 C--N 1.381 1.951 0 CA-C-N 120.948 1.703 . . . . 0.0 112.409 -176.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 3.1 m-85 -104.46 133.57 49.12 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 125.387 1.475 . . . . 0.0 111.161 -176.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -124.19 160.05 28.75 Favored 'General case' 0 C--N 1.384 2.084 0 C-N-CA 129.482 3.113 . . . . 0.0 109.845 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 t -142.42 161.07 38.99 Favored 'General case' 0 C--N 1.368 1.377 0 O-C-N 120.253 -1.529 . . . . 0.0 112.322 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 . . . . . 0 C--N 1.359 0.998 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 174.999 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 60.0 m95 . . . . . 0 N--CA 1.442 -0.841 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.6 m -141.09 159.17 23.08 Favored 'Isoleucine or valine' 0 C--N 1.365 1.257 0 C-N-CA 125.27 1.428 . . . . 0.0 108.546 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -96.09 129.35 43.41 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 127.859 2.464 . . . . 0.0 107.058 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -91.65 -63.13 1.29 Allowed 'General case' 0 C--N 1.358 0.95 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -171.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -163.28 176.81 9.55 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -171.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.2 t -126.67 132.62 51.15 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 104.481 -2.414 . . . . 0.0 104.481 169.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.26 165.06 36.92 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 -174.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.91 114.74 20.72 Favored 'General case' 0 C--N 1.365 1.279 0 CA-C-O 124.499 2.095 . . . . 0.0 113.667 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -163.54 169.69 18.37 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.197 -1.365 . . . . 0.0 108.272 -175.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -122.63 106.77 11.27 Favored 'General case' 0 N--CA 1.442 -0.836 1 N-CA-C 100.009 -4.071 . . . . 0.0 100.009 169.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.616 HG11 HG11 ' A' ' 108' ' ' VAL . 0.2 OUTLIER -115.42 96.4 4.57 Favored 'Isoleucine or valine' 0 C--N 1.365 1.247 0 N-CA-C 101.101 -3.666 . . . . 0.0 101.101 -172.859 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -121.65 151.11 56.63 Favored Pre-proline 0 C--N 1.375 1.709 0 CA-C-N 121.962 2.164 . . . . 0.0 115.158 -170.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -71.52 152.82 60.3 Favored 'Trans proline' 0 C--N 1.367 1.528 0 C-N-CA 124.453 3.435 . . . . 0.0 114.272 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.0 tt . . . . . 0 C--N 1.368 1.374 0 CA-C-O 124.831 2.253 . . . . 0.0 114.354 -178.351 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.487 -1.662 0 CA-C-O 122.464 1.036 . . . . 0.0 113.072 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.44 ' HE2' HG12 ' A' ' 72' ' ' VAL . 1.1 m-30 -116.36 162.02 18.17 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 126.689 1.995 . . . . 0.0 113.359 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -132.52 119.39 20.49 Favored 'General case' 0 C--N 1.364 1.208 0 N-CA-C 103.141 -2.911 . . . . 0.0 103.141 163.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.511 ' HB ' ' HA ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -142.47 134.56 26.11 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 O-C-N 119.726 -1.859 . . . . 0.0 110.287 -167.795 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -131.66 150.34 52.18 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 124.952 1.301 . . . . 0.0 110.175 173.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 t -141.13 153.7 67.1 Favored Pre-proline 0 C--N 1.351 0.658 0 N-CA-C 104.137 -2.542 . . . . 0.0 104.137 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.42 126.08 10.08 Favored 'Trans proline' 0 CA--C 1.55 1.28 0 CA-C-N 125.73 3.082 . . . . 0.0 110.311 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.402 0.3 OUTLIER 19.64 20.42 0.0 OUTLIER 'General case' 0 C--N 1.367 1.357 2 C-N-CA 137.03 6.132 . . . . 0.0 122.939 -175.658 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -104.44 150.6 24.41 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 128.446 2.698 . . . . 0.0 109.802 174.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -110.24 64.33 0.61 Allowed 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.348 -1.47 . . . . 0.0 107.459 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -76.58 -49.91 15.17 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.656 2.382 . . . . 0.0 111.265 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.441 HG21 HD11 ' A' ' 94' ' ' ILE . 1.0 OUTLIER -78.04 131.39 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.2 0 C-N-CA 130.849 3.66 . . . . 0.0 112.983 174.908 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -135.44 -171.86 2.94 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -166.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -97.61 128.58 44.43 Favored 'General case' 0 C--N 1.365 1.251 0 C-N-CA 130.222 3.409 . . . . 0.0 105.248 170.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 79.32 53.87 0.02 OUTLIER 'General case' 0 C--N 1.362 1.151 0 C-N-CA 128.986 2.914 . . . . 0.0 109.085 -173.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.1 tpt -124.77 149.63 47.14 Favored 'General case' 0 C--N 1.364 1.233 0 CA-C-O 124.301 2.001 . . . . 0.0 113.09 -171.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -136.27 126.18 25.87 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 102.557 -3.127 . . . . 0.0 102.557 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.616 HG11 HG11 ' A' ' 72' ' ' VAL . 97.1 t -129.27 140.34 49.43 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 O-C-N 119.389 -2.07 . . . . 0.0 105.671 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 51.3 mt -99.17 104.28 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 N-CA-C 103.661 -2.718 . . . . 0.0 103.661 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.434 ' HA ' HG12 ' A' ' 43' ' ' ILE . 9.9 t80 -96.68 93.54 6.78 Favored 'General case' 0 N--CA 1.433 -1.299 0 C-N-CA 129.135 2.974 . . . . 0.0 110.365 175.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . 0.257 21.9 ttm180 52.35 42.92 31.23 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 128.73 2.812 . . . . 0.0 116.89 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.74 -6.41 77.07 Favored Glycine 0 C--N 1.36 1.884 0 C-N-CA 126.353 1.93 . . . . 0.0 116.5 -175.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -94.28 126.5 39.57 Favored 'General case' 0 C--N 1.36 1.053 0 CA-C-N 119.895 1.847 . . . . 0.0 110.013 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.8 mm -94.72 106.8 18.59 Favored 'Isoleucine or valine' 0 C--N 1.371 1.522 0 C-N-CA 124.142 0.977 . . . . 0.0 109.313 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.23 148.22 27.22 Favored 'Isoleucine or valine' 0 C--N 1.367 1.335 0 C-N-CA 125.547 1.539 . . . . 0.0 112.27 -176.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.3 p -111.93 142.25 44.57 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 128.853 2.861 . . . . 0.0 115.724 -176.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -156.16 157.19 35.52 Favored 'General case' 0 C--N 1.368 1.378 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 176.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.3 pt -140.64 102.64 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.37 1.481 0 C-N-CA 125.714 1.606 . . . . 0.0 106.792 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -147.31 161.45 28.49 Favored Glycine 0 C--N 1.359 1.842 0 O-C-N 119.178 -2.201 . . . . 0.0 114.826 -172.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -107.32 138.83 20.02 Favored Pre-proline 0 C--N 1.357 0.917 0 C-N-CA 126.471 1.908 . . . . 0.0 110.309 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -85.7 154.65 10.27 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 123.958 3.105 . . . . 0.0 115.693 -172.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 18.2 t -130.42 139.52 51.14 Favored 'Isoleucine or valine' 0 C--N 1.367 1.33 0 C-N-CA 128.291 2.636 . . . . 0.0 109.112 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--N 1.368 1.411 0 C-N-CA 125.943 1.697 . . . . 0.0 109.849 174.646 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 121.694 0.759 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.8 mt -111.57 138.45 40.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 O-C-N 120.506 -1.371 . . . . 0.0 111.347 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.96 126.86 54.37 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 128.495 2.718 . . . . 0.0 105.747 167.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 74.0 ttt-85 -124.3 138.54 54.38 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 127.07 2.148 . . . . 0.0 108.972 -177.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.476 HG23 HG23 ' A' ' 94' ' ' ILE . 16.9 tt . . . . . 0 N--CA 1.444 -0.757 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 174.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.221 -0.445 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 m -116.95 127.14 74.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 126.363 1.865 . . . . 0.0 106.238 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.0 pt -139.43 167.91 19.19 Favored 'Isoleucine or valine' 0 C--N 1.369 1.453 0 O-C-N 120.707 -1.246 . . . . 0.0 113.021 -174.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 m -114.55 116.72 29.25 Favored 'General case' 0 C--N 1.377 1.793 0 C-N-CA 125.864 1.666 . . . . 0.0 111.965 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 92.4 m-85 -98.64 135.61 39.91 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 124.51 1.124 . . . . 0.0 111.794 177.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -136.66 171.28 14.72 Favored 'General case' 0 C--N 1.376 1.738 0 C-N-CA 126.351 1.86 . . . . 0.0 112.83 -173.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 t -136.97 141.44 42.6 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 125.889 1.675 . . . . 0.0 107.987 172.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 t80 . . . . . 0 C--N 1.357 0.914 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 171.99 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 30.7 m95 . . . . . 0 N--CA 1.442 -0.83 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.4 p -141.01 153.55 20.59 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -95.03 133.19 39.08 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 126.194 1.798 . . . . 0.0 107.39 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -86.17 -53.62 4.94 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 125.483 1.513 . . . . 0.0 111.109 -174.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.404 ' CZ ' ' CD1' ' A' ' 45' ' ' PHE . 7.2 p90 -170.7 175.27 4.65 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.2 m -141.36 133.07 27.21 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 100.961 -3.718 . . . . 0.0 100.961 175.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.12 163.71 39.3 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-O 122.221 1.01 . . . . 0.0 112.324 -175.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.59 112.8 19.82 Favored 'General case' 0 C--N 1.37 1.479 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 171.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -169.45 169.86 8.66 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 123.269 1.509 . . . . 0.0 107.286 -168.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -144.2 131.45 20.74 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 120.335 -1.478 . . . . 0.0 109.944 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.591 ' HA ' ' HB ' ' A' ' 94' ' ' ILE . 58.0 t -114.53 99.18 8.04 Favored 'Isoleucine or valine' 0 C--N 1.367 1.335 0 C-N-CA 128.255 2.622 . . . . 0.0 105.141 -177.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -106.03 137.37 19.35 Favored Pre-proline 0 C--N 1.357 0.9 0 C-N-CA 127.239 2.216 . . . . 0.0 110.303 -174.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -71.83 155.49 58.03 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 124.36 3.373 . . . . 0.0 114.468 -176.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.7 pt . . . . . 0 C--N 1.364 1.221 0 O-C-N 120.615 -1.303 . . . . 0.0 113.5 176.873 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.486 -1.757 0 CA-C-O 122.0 0.778 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.59 ' CD2' HG12 ' A' ' 72' ' ' VAL . 10.3 m-85 -134.94 132.84 38.91 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 122.473 1.13 . . . . 0.0 110.714 -178.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -99.8 120.1 39.21 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 128.88 2.872 . . . . 0.0 104.987 174.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.591 ' HB ' ' HA ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -147.97 143.87 19.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 O-C-N 120.755 -1.216 . . . . 0.0 111.542 -171.412 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.375 2.4 p90 -132.54 148.09 52.37 Favored 'General case' 0 C--N 1.367 1.328 0 CA-C-O 121.722 0.772 . . . . 0.0 109.05 162.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.423 HG22 HG21 ' A' ' 102' ' ' ILE . 11.2 t -140.44 163.2 45.06 Favored Pre-proline 0 C--N 1.358 0.942 0 N-CA-C 104.551 -2.388 . . . . 0.0 104.551 174.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -69.39 142.8 50.59 Favored 'Trans proline' 0 CA--C 1.561 1.83 0 C-N-CA 123.228 2.619 . . . . 0.0 109.961 158.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.315 0.3 OUTLIER 10.24 19.81 0.0 OUTLIER 'General case' 0 C--N 1.356 0.857 2 C-N-CA 137.232 6.213 . . . . 0.0 125.933 -174.765 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -103.25 131.38 50.34 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 126.547 1.939 . . . . 0.0 109.841 176.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -107.37 28.28 8.26 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 126.674 1.99 . . . . 0.0 113.807 -175.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 87.8 mmt-85 -100.72 -27.7 13.22 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 120.837 -1.164 . . . . 0.0 112.948 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.568 HG22 HD11 ' A' ' 94' ' ' ILE 0.301 0.7 OUTLIER 7.35 -77.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.377 1.769 1 C-N-CA 135.928 5.691 . . . . 0.0 119.396 166.313 . . . . . . . . 5 4 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . 0.259 9.4 p-10 -132.3 113.58 13.39 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 103.86 -2.644 . . . . 0.0 103.86 159.115 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -142.08 -70.64 0.34 Allowed 'General case' 0 C--N 1.357 0.892 0 O-C-N 120.093 -1.63 . . . . 0.0 112.6 -173.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -173.55 53.87 0.02 OUTLIER 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.539 1.536 . . . . 0.0 107.655 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.458 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 13.3 mtt -157.7 -148.14 0.2 Allowed 'General case' 0 C--N 1.362 1.121 0 C-N-CA 124.103 0.961 . . . . 0.0 110.167 -165.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -137.69 163.67 30.73 Favored 'General case' 0 C--N 1.378 1.817 0 CA-C-O 122.739 1.257 . . . . 0.0 111.673 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.8 p -149.06 151.7 12.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 O-C-N 119.108 -2.245 . . . . 0.0 108.348 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 46.0 mt -112.54 106.24 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.189 0 N-CA-C 103.671 -2.715 . . . . 0.0 103.671 171.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -96.77 99.6 11.18 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.731 2.012 . . . . 0.0 107.632 172.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 54.36 32.62 16.77 Favored 'General case' 0 C--N 1.366 1.308 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.61 -4.19 75.82 Favored Glycine 0 C--N 1.36 1.885 0 C-N-CA 125.503 1.525 . . . . 0.0 114.803 -171.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -93.62 114.69 27.07 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 124.984 1.314 . . . . 0.0 108.5 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 16.7 pt -81.5 116.11 25.21 Favored 'Isoleucine or valine' 0 C--N 1.366 1.294 0 C-N-CA 126.937 2.095 . . . . 0.0 110.434 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 87.7 t -120.77 128.29 76.03 Favored 'Isoleucine or valine' 0 C--N 1.363 1.175 0 C-N-CA 126.865 2.066 . . . . 0.0 110.324 -172.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 p -87.22 116.91 25.63 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 131.073 3.749 . . . . 0.0 110.364 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.458 ' CE1' ' HB2' ' A' ' 106' ' ' MET 0.258 0.5 OUTLIER -125.26 150.09 47.39 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 120.824 3.639 . . . . 0.0 120.824 -172.361 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 16.8 tt -144.67 149.32 17.26 Favored 'Isoleucine or valine' 0 C--N 1.372 1.559 0 C-N-CA 130.451 3.5 . . . . 0.0 105.832 172.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 174.54 -175.67 46.82 Favored Glycine 0 C--N 1.369 2.38 0 CA-C-N 120.282 1.401 . . . . 0.0 113.163 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -143.66 120.32 6.58 Favored Pre-proline 0 C--N 1.366 1.298 0 CA-C-O 115.78 -2.057 . . . . 0.0 106.299 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -94.36 159.18 2.03 Favored 'Trans proline' 0 C--N 1.351 0.699 1 C-N-CA 125.355 4.037 . . . . 0.0 113.798 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 10.7 m -126.06 140.16 49.43 Favored 'Isoleucine or valine' 0 C--N 1.363 1.186 0 C-N-CA 125.258 1.423 . . . . 0.0 107.647 172.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 . . . . . 0 C--N 1.364 1.226 0 O-C-N 120.586 -1.321 . . . . 0.0 112.971 178.675 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 CA--C 1.533 0.296 0 CA-C-O 123.291 1.52 . . . . 0.0 114.814 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 13.0 tt -113.41 127.91 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-O 123.389 1.566 . . . . 0.0 110.881 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 p -107.66 119.24 38.89 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 127.096 2.158 . . . . 0.0 105.568 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -124.32 137.61 54.47 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 126.531 1.932 . . . . 0.0 107.222 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 14.8 tt . . . . . 0 C--N 1.351 0.666 0 CA-C-O 122.599 1.19 . . . . 0.0 112.277 -176.25 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 . . . . . 0 C--O 1.239 0.506 0 CA-C-O 121.513 0.673 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 m -111.01 116.5 52.68 Favored 'Isoleucine or valine' 0 C--N 1.37 1.459 0 C-N-CA 128.526 2.73 . . . . 0.0 107.735 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.92 168.29 17.83 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 C-N-CA 126.008 1.723 . . . . 0.0 112.555 -175.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.9 m -116.64 125.53 51.91 Favored 'General case' 0 C--N 1.38 1.894 0 C-N-CA 124.365 1.066 . . . . 0.0 110.715 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -110.04 125.36 52.85 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 125.074 1.35 . . . . 0.0 110.296 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -133.25 164.9 26.03 Favored 'General case' 0 C--N 1.374 1.65 0 C-N-CA 126.251 1.82 . . . . 0.0 110.722 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.8 p -141.56 159.81 41.45 Favored 'General case' 0 C--N 1.368 1.403 0 CA-C-O 122.931 1.348 . . . . 0.0 113.652 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.9 t80 . . . . . 0 C--N 1.36 1.042 0 N-CA-C 100.498 -3.889 . . . . 0.0 100.498 176.447 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.7 m95 . . . . . 0 CA--C 1.541 0.624 0 CA-C-O 121.925 0.869 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.0 m -142.64 170.23 11.7 Favored 'Isoleucine or valine' 0 C--N 1.366 1.311 0 C-N-CA 127.026 2.131 . . . . 0.0 106.98 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -87.37 146.99 25.66 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.847 2.059 . . . . 0.0 109.555 173.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -96.09 -57.91 2.22 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 125.531 1.533 . . . . 0.0 109.833 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 7.3 p90 -167.16 171.96 10.41 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 104.378 -2.453 . . . . 0.0 104.378 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 p -130.02 132.58 46.29 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 101.122 -3.659 . . . . 0.0 101.122 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.73 164.67 36.86 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 118.231 2.678 . . . . 0.0 118.231 -173.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.74 119.67 34.64 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 127.263 2.225 . . . . 0.0 107.866 171.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.23 168.09 13.68 Favored 'General case' 0 CA--C 1.495 -1.144 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -103.04 106.92 17.54 Favored 'General case' 0 C--N 1.362 1.135 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 171.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.604 HG12 ' CE2' ' A' ' 110' ' ' TYR . 1.9 t -121.82 105.89 17.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 1 N-CA-C 98.426 -4.657 . . . . 0.0 98.426 -176.764 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -137.16 142.99 40.04 Favored Pre-proline 0 C--N 1.365 1.245 0 O-C-N 120.195 -1.566 . . . . 0.0 111.746 -169.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.75 139.1 42.98 Favored 'Trans proline' 0 C--N 1.371 1.723 0 C-N-CA 124.749 3.633 . . . . 0.0 113.655 175.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.557 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.694 0 C-N-CA 131.05 3.74 . . . . 0.0 117.489 -178.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.059 0 CA-C-O 122.519 1.066 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -128.91 143.1 50.79 Favored 'General case' 0 CA--C 1.494 -1.198 0 C-N-CA 127.046 2.138 . . . . 0.0 109.704 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.531 HD21 ' HE ' ' A' ' 132' ' ' ARG . 0.4 OUTLIER -143.13 121.15 12.08 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 102.665 -3.087 . . . . 0.0 102.665 173.481 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -133.9 152.24 34.19 Favored 'Isoleucine or valine' 0 C--N 1.36 1.025 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -168.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.296 0.1 OUTLIER -129.77 128.98 43.49 Favored 'General case' 0 C--N 1.373 1.601 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 166.828 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.9 t -139.04 158.96 68.69 Favored Pre-proline 0 C--N 1.353 0.732 0 C-N-CA 127.476 2.31 . . . . 0.0 107.706 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -65.92 142.81 70.45 Favored 'Trans proline' 0 CA--C 1.554 1.494 0 C-N-CA 124.012 3.141 . . . . 0.0 111.175 162.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.263 0.6 OUTLIER 2.43 22.11 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.107 2 C-N-CA 136.306 5.842 . . . . 0.0 125.668 -174.761 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -103.27 134.85 45.98 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 126.888 2.075 . . . . 0.0 110.979 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.406 ' HA ' HD11 ' A' ' 133' ' ' ILE . 1.0 OUTLIER -107.14 19.94 19.7 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 127.446 2.299 . . . . 0.0 108.913 175.406 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.45 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 58.5 mtp180 -102.23 1.1 35.49 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 118.796 2.888 . . . . 0.0 118.796 -164.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . 0.33 0.2 OUTLIER -78.04 -64.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.717 0 CA-C-N 123.125 2.693 . . . . 0.0 113.529 177.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -120.26 112.63 19.29 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.512 1.525 . . . . 0.0 110.687 -176.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 78.9 tttt 168.63 60.83 0.0 OUTLIER 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.277 22.3 tptm 76.06 48.45 0.08 Allowed 'General case' 0 C--N 1.371 1.513 0 CA-C-O 125.064 2.364 . . . . 0.0 110.775 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -141.04 -177.9 5.32 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 111.779 -2.464 . . . . 0.0 107.871 -175.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -145.0 131.07 19.33 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.685 1.594 . . . . 0.0 108.768 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.322 1.0 OUTLIER -130.59 161.68 40.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 O-C-N 119.12 -2.237 . . . . 0.0 109.638 177.463 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.497 HG22 ' H ' ' A' ' 112' ' ' GLY . 5.9 mt -118.13 108.1 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 CA-C-N 111.506 -2.588 . . . . 0.0 107.585 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.604 ' CE2' HG12 ' A' ' 72' ' ' VAL . 12.6 m-85 -94.23 82.82 4.15 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 126.652 1.981 . . . . 0.0 107.573 173.082 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 56.04 46.74 21.16 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 127.398 2.279 . . . . 0.0 116.795 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.497 ' H ' HG22 ' A' ' 109' ' ' ILE . . . 92.96 4.01 65.34 Favored Glycine 0 C--N 1.361 1.928 0 C-N-CA 126.421 1.963 . . . . 0.0 116.641 -174.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -99.52 104.6 16.43 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.642 1.577 . . . . 0.0 109.686 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.628 ' H ' HD13 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -93.3 110.15 22.81 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 C-N-CA 126.904 2.081 . . . . 0.0 112.755 -176.167 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 36.1 t -130.7 138.47 53.59 Favored 'Isoleucine or valine' 0 C--N 1.37 1.484 0 C-N-CA 124.779 1.232 . . . . 0.0 109.597 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.4 m -105.25 131.52 52.62 Favored 'General case' 0 C--N 1.379 1.884 0 C-N-CA 129.638 3.175 . . . . 0.0 107.595 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.33 163.89 32.94 Favored 'General case' 0 C--N 1.365 1.25 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -171.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.75 143.67 38.47 Favored 'Isoleucine or valine' 0 C--N 1.362 1.14 0 C-N-CA 127.918 2.487 . . . . 0.0 106.032 173.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -168.82 -169.57 32.38 Favored Glycine 0 C--N 1.365 2.164 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -169.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -130.98 129.75 22.65 Favored Pre-proline 0 C--N 1.368 1.372 0 C-N-CA 125.379 1.472 . . . . 0.0 113.779 -174.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -99.87 148.18 0.46 Allowed 'Trans proline' 0 C--N 1.365 1.4 0 C-N-CA 124.597 3.531 . . . . 0.0 114.445 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 13.4 p -132.99 133.23 58.9 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 C-N-CA 125.939 1.696 . . . . 0.0 110.197 169.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 . . . . . 0 C--N 1.362 1.123 0 C-N-CA 126.961 2.104 . . . . 0.0 110.047 173.673 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 . . . . . 0 N--CA 1.467 0.414 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 7.9 pt -121.93 137.2 56.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 CA-C-O 123.616 1.674 . . . . 0.0 109.587 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.7 p -113.13 142.27 45.95 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 130.136 3.374 . . . . 0.0 107.94 176.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.531 ' HE ' HD21 ' A' ' 93' ' ' ASN . 77.6 ttt180 -115.71 136.09 53.4 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 175.182 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' A' ' 100' ' ' ASP . 5.3 mm . . . . . 0 C--N 1.353 0.757 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--O 1.239 0.549 0 CA-C-O 122.444 1.116 . . . . 0.0 109.818 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 m -97.72 116.49 40.39 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 C-N-CA 126.083 1.753 . . . . 0.0 106.899 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.4 mm -98.5 157.97 3.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 C-N-CA 128.253 2.621 . . . . 0.0 111.068 -168.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.8 m -121.07 118.96 31.1 Favored 'General case' 0 C--N 1.368 1.372 0 O-C-N 120.56 -1.337 . . . . 0.0 108.564 -177.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.419 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 97.3 m-85 -112.21 127.51 55.97 Favored 'General case' 0 C--N 1.363 1.195 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -126.87 148.9 49.97 Favored 'General case' 0 C--N 1.38 1.909 0 C-N-CA 127.756 2.422 . . . . 0.0 109.795 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.1 t -127.71 161.06 29.81 Favored 'General case' 0 C--N 1.371 1.542 0 O-C-N 119.484 -2.01 . . . . 0.0 111.258 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.1 t80 . . . . . 0 C--N 1.363 1.161 0 C-N-CA 125.834 1.653 . . . . 0.0 107.786 176.374 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 50.8 m95 . . . . . 0 N--CA 1.443 -0.786 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 68.5 t -133.98 137.83 51.48 Favored 'Isoleucine or valine' 0 C--N 1.361 1.084 0 C-N-CA 127.76 2.424 . . . . 0.0 106.803 -175.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.98 130.19 36.92 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 126.186 1.794 . . . . 0.0 108.208 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -83.52 -59.65 2.38 Favored 'General case' 0 C--N 1.362 1.109 0 CA-C-O 122.536 1.16 . . . . 0.0 113.81 -172.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.419 ' CZ ' ' CD1' ' A' ' 45' ' ' PHE . 8.5 p90 -170.08 179.54 3.51 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 -174.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.8 t -139.24 132.77 30.35 Favored 'General case' 0 N--CA 1.445 -0.69 1 N-CA-C 99.892 -4.114 . . . . 0.0 99.892 169.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.56 162.65 39.74 Favored 'General case' 0 CA--C 1.504 -0.819 0 O-C-N 121.533 -0.73 . . . . 0.0 111.753 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.92 116.11 21.41 Favored 'General case' 0 C--N 1.364 1.231 0 O-C-N 120.636 -1.29 . . . . 0.0 107.528 177.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.38 156.31 21.14 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -167.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -108.82 107.24 17.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 174.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.655 HG21 HG21 ' A' ' 108' ' ' VAL . 10.9 t -106.98 99.23 8.15 Favored 'Isoleucine or valine' 0 C--N 1.373 1.604 0 N-CA-C 100.937 -3.727 . . . . 0.0 100.937 176.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -116.29 157.94 44.16 Favored Pre-proline 0 C--N 1.367 1.34 0 O-C-N 118.385 -2.697 . . . . 0.0 110.558 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.31 155.18 60.84 Favored 'Trans proline' 0 CA--C 1.549 1.231 0 CA-C-N 126.915 3.505 . . . . 0.0 113.639 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.358 13.1 tt . . . . . 0 C--N 1.376 1.74 0 C-N-CA 127.206 2.202 . . . . 0.0 116.717 -178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.575 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -114.53 155.29 26.72 Favored 'General case' 0 C--N 1.362 1.127 0 CA-C-O 124.168 1.937 . . . . 0.0 111.485 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . 0.281 2.6 t30 -123.7 119.13 28.89 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 102.51 -3.144 . . . . 0.0 102.51 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.495 HG12 HG22 ' A' ' 72' ' ' VAL . 3.6 mp -140.51 146.78 23.86 Favored 'Isoleucine or valine' 0 C--N 1.361 1.098 0 O-C-N 119.725 -1.859 . . . . 0.0 111.069 -172.1 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.01 140.3 48.89 Favored 'General case' 0 C--N 1.365 1.266 0 C-N-CA 125.07 1.348 . . . . 0.0 107.529 163.43 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.0 t -139.45 148.18 55.42 Favored Pre-proline 0 C--N 1.362 1.14 0 N-CA-C 103.286 -2.857 . . . . 0.0 103.286 170.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -64.16 126.57 17.38 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 125.084 3.856 . . . . 0.0 110.433 172.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.298 0.6 OUTLIER 34.76 13.88 0.0 OUTLIER 'General case' 0 C--N 1.356 0.857 2 C-N-CA 134.332 5.053 . . . . 0.0 122.794 -176.248 . . . . . . . . 4 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -104.24 122.94 46.42 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 119.947 -1.721 . . . . 0.0 111.966 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.442 ' HA ' HG21 ' A' ' 131' ' ' THR . 3.1 m-20 -96.7 25.77 4.97 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 126.445 1.898 . . . . 0.0 112.212 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -94.07 -49.64 5.68 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 116.384 -1.77 . . . . 0.0 112.39 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.459 HD12 HG22 ' A' ' 133' ' ' ILE 0.317 1.3 pt 15.25 -87.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.381 1.957 1 C-N-CA 132.203 4.201 . . . . 0.0 120.124 170.299 . . . . . . . . 4 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -135.76 113.23 10.74 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 122.538 1.161 . . . . 0.0 108.366 168.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -142.09 -73.52 0.31 Allowed 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 104.162 -2.533 . . . . 0.0 104.162 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -128.75 66.19 1.42 Allowed 'General case' 0 C--N 1.358 0.967 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 171.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.455 ' O ' ' HA ' ' A' ' 117' ' ' PHE 0.315 17.8 ptp -155.25 156.85 36.32 Favored 'General case' 0 C--N 1.364 1.198 0 N-CA-C 120.565 3.543 . . . . 0.0 120.565 -177.664 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -93.96 101.55 13.61 Favored 'General case' 0 C--N 1.358 0.975 1 C-N-CA 131.903 4.081 . . . . 0.0 105.632 -179.159 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.655 HG21 HG21 ' A' ' 72' ' ' VAL . 1.5 p -107.0 137.58 37.16 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.258 0 CA-C-O 122.534 1.159 . . . . 0.0 108.722 -175.239 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 48.5 mt -103.89 105.37 18.29 Favored 'Isoleucine or valine' 0 C--N 1.363 1.182 0 N-CA-C 103.767 -2.679 . . . . 0.0 103.767 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -99.16 111.76 24.07 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 126.2 1.8 . . . . 0.0 107.116 173.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 52.39 32.96 12.02 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 117.674 2.472 . . . . 0.0 117.674 175.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.83 3.96 65.64 Favored Glycine 0 C--N 1.359 1.816 0 C-N-CA 127.244 2.354 . . . . 0.0 116.236 -174.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -109.1 122.81 48.07 Favored 'General case' 0 C--N 1.361 1.087 0 CA-C-N 119.806 1.803 . . . . 0.0 110.651 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.2 mp -86.06 105.65 14.77 Favored 'Isoleucine or valine' 0 C--N 1.372 1.549 0 C-N-CA 125.404 1.482 . . . . 0.0 108.822 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.7 162.98 36.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 -168.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . 0.689 14.7 t 71.49 -89.75 0.03 OUTLIER 'General case' 0 C--N 1.378 1.818 2 N-CA-C 128.016 6.302 . . . . 0.0 128.016 168.018 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.455 ' HA ' ' O ' ' A' ' 106' ' ' MET 0.671 3.1 m-85 103.56 -74.34 0.0 OUTLIER 'General case' 0 C--N 1.374 1.65 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 -170.558 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 32.6 pt -104.6 144.17 14.99 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 N-CA-C 117.75 2.5 . . . . 0.0 117.75 -172.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.569 ' HA3' HD11 ' A' ' 133' ' ' ILE . . . -170.94 -179.26 42.04 Favored Glycine 0 C--N 1.361 1.925 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 173.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -127.97 101.44 22.93 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 126.092 1.757 . . . . 0.0 109.855 176.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -78.88 137.49 14.03 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 124.871 3.714 . . . . 0.0 114.842 -178.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.1 t -125.36 121.49 60.59 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 C-N-CA 127.224 2.21 . . . . 0.0 108.965 -177.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 C--N 1.361 1.105 0 O-C-N 120.56 -1.337 . . . . 0.0 110.443 176.992 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . 0.263 6.9 mp0 . . . . . 0 C--O 1.224 -0.241 0 CA-C-O 121.958 0.885 . . . . 0.0 112.416 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.7 pp -107.75 142.67 19.86 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 CA-C-O 123.343 1.544 . . . . 0.0 113.562 -176.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.442 HG21 ' HA ' ' A' ' 100' ' ' ASP . 71.4 m -112.24 132.31 55.0 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 128.165 2.586 . . . . 0.0 107.954 173.229 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -124.46 138.85 54.31 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 126.88 2.072 . . . . 0.0 111.889 -173.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.569 HD11 ' HA3' ' A' ' 119' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.358 0.937 0 O-C-N 120.182 -1.574 . . . . 0.0 109.768 174.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 N--CA 1.467 0.382 0 CA-C-O 121.438 0.637 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.3 t -97.62 128.17 49.22 Favored 'Isoleucine or valine' 0 C--N 1.364 1.208 0 C-N-CA 128.008 2.523 . . . . 0.0 107.573 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.9 pt -132.11 168.21 24.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 O-C-N 118.957 -2.34 . . . . 0.0 111.823 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.8 m -113.29 124.3 52.17 Favored 'General case' 0 C--N 1.378 1.823 0 C-N-CA 125.194 1.397 . . . . 0.0 110.775 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.559 ' CE2' HG22 ' A' ' 102' ' ' ILE . 84.9 m-85 -105.97 136.92 44.78 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 123.697 0.799 . . . . 0.0 113.136 176.229 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -132.62 162.98 29.92 Favored 'General case' 0 C--N 1.373 1.596 0 C-N-CA 127.444 2.297 . . . . 0.0 109.674 -177.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.6 t -141.6 161.21 38.48 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 125.508 1.523 . . . . 0.0 108.79 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.359 0.986 0 C-N-CA 128.535 2.734 . . . . 0.0 105.757 178.35 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.4 m95 . . . . . 0 N--CA 1.444 -0.765 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.5 p -143.59 157.31 16.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 C-N-CA 123.695 0.798 . . . . 0.0 108.955 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -95.61 135.03 37.8 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 127.113 2.165 . . . . 0.0 108.053 175.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -88.07 -56.07 3.49 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 126.172 1.789 . . . . 0.0 111.544 -175.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 101' ' ' ARG . 36.9 p90 -167.69 172.84 8.93 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -175.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 m -131.44 132.5 44.36 Favored 'General case' 0 CA--C 1.505 -0.774 1 N-CA-C 99.566 -4.235 . . . . 0.0 99.566 171.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.26 165.41 35.97 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 121.848 0.832 . . . . 0.0 112.917 -175.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.77 114.24 20.28 Favored 'General case' 0 C--N 1.367 1.332 0 CA-C-O 122.448 1.118 . . . . 0.0 108.744 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.7 170.02 2.45 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 105.488 -2.042 . . . . 0.0 105.488 -172.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.01 128.53 16.02 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 171.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.646 HG22 HG13 ' A' ' 94' ' ' ILE . 91.4 t -105.8 99.22 8.05 Favored 'Isoleucine or valine' 0 C--N 1.37 1.475 0 C-N-CA 127.307 2.243 . . . . 0.0 106.316 177.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -102.96 129.59 25.35 Favored Pre-proline 0 C--N 1.362 1.127 0 O-C-N 120.132 -1.605 . . . . 0.0 112.966 -175.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -72.06 141.68 36.85 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 124.744 3.629 . . . . 0.0 112.595 173.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.6 pt . . . . . 0 C--N 1.365 1.248 0 O-C-N 119.828 -1.795 . . . . 0.0 114.403 179.877 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.262 0 CA-C-O 122.466 1.037 . . . . 0.0 112.171 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.458 ' CD2' HG12 ' A' ' 72' ' ' VAL . 52.9 m-85 -121.29 153.1 38.14 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 126.583 1.953 . . . . 0.0 114.231 -177.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -122.36 120.33 33.69 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 101.483 -3.525 . . . . 0.0 101.483 169.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.646 HG13 HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -147.44 143.15 19.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 O-C-N 119.494 -2.003 . . . . 0.0 112.302 -171.458 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.17 141.52 48.41 Favored 'General case' 0 C--N 1.377 1.796 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 172.061 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.7 m -139.3 147.66 53.8 Favored Pre-proline 0 C--N 1.352 0.689 0 N-CA-C 102.886 -3.005 . . . . 0.0 102.886 167.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.96 135.52 17.46 Favored 'Trans proline' 0 C--N 1.357 0.985 0 CA-C-N 126.297 3.285 . . . . 0.0 110.715 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 19.04 -10.62 0.0 OUTLIER 'General case' 0 C--N 1.359 0.998 2 C-N-CA 138.543 6.737 . . . . 0.0 123.855 -177.913 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -104.44 157.75 16.94 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 128.905 2.882 . . . . 0.0 111.821 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -96.43 66.06 2.36 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 120.417 -1.427 . . . . 0.0 108.747 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 59.4 mtt180 -76.47 -49.39 16.7 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 124.469 1.108 . . . . 0.0 112.632 -177.058 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.559 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -62.01 151.87 7.08 Favored 'Isoleucine or valine' 0 C--N 1.366 1.315 0 C-N-CA 130.791 3.636 . . . . 0.0 115.268 165.816 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -135.99 -178.92 5.36 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -175.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -82.92 -23.5 33.5 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 130.251 3.42 . . . . 0.0 114.822 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -139.65 82.25 1.87 Allowed 'General case' 0 C--N 1.347 0.494 0 N-CA-C 104.875 -2.268 . . . . 0.0 104.875 177.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -144.55 168.65 19.63 Favored 'General case' 0 C--N 1.363 1.154 0 CA-C-O 122.869 1.318 . . . . 0.0 110.766 -172.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -127.89 150.98 49.63 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.13 149.53 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 CA-C-O 123.176 1.465 . . . . 0.0 109.521 -178.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 58.1 mt -108.49 104.06 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 N-CA-C 101.661 -3.459 . . . . 0.0 101.661 165.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -95.17 103.19 15.04 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 130.057 3.343 . . . . 0.0 107.543 173.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . 0.363 17.6 ptm180 44.08 40.43 3.45 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 129.605 3.162 . . . . 0.0 118.168 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.18 6.28 63.19 Favored Glycine 0 C--N 1.36 1.914 0 C-N-CA 127.534 2.492 . . . . 0.0 116.463 -176.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -108.45 125.41 51.74 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 119.655 1.728 . . . . 0.0 109.019 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 18.8 mt -97.37 106.67 18.87 Favored 'Isoleucine or valine' 0 C--N 1.367 1.365 0 C-N-CA 124.507 1.123 . . . . 0.0 109.911 -178.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.5 m -132.53 160.76 42.35 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 C-N-CA 125.573 1.549 . . . . 0.0 111.318 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.8 151.54 19.55 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 129.788 3.235 . . . . 0.0 108.535 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -149.5 160.8 43.16 Favored 'General case' 0 C--N 1.37 1.48 0 CA-C-N 118.666 0.666 . . . . 0.0 112.424 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.451 HD13 ' H ' ' A' ' 118' ' ' ILE . 0.1 OUTLIER -133.16 170.94 18.98 Favored 'Isoleucine or valine' 0 C--N 1.374 1.655 0 C-N-CA 127.675 2.39 . . . . 0.0 108.818 179.858 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 126.19 157.79 9.69 Favored Glycine 0 C--N 1.367 2.275 0 O-C-N 120.654 -1.279 . . . . 0.0 114.917 171.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -103.35 123.87 40.17 Favored Pre-proline 0 C--N 1.359 1.014 0 C-N-CA 125.937 1.695 . . . . 0.0 111.153 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.9 132.35 10.6 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.73 3.62 . . . . 0.0 113.35 175.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.4 p -132.93 144.14 37.45 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 C-N-CA 124.803 1.241 . . . . 0.0 109.477 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 C--N 1.358 0.957 0 C-N-CA 125.949 1.7 . . . . 0.0 111.51 173.837 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 . . . . . 0 CA--C 1.533 0.305 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.0 tt -128.97 125.31 62.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 O-C-N 120.058 -1.652 . . . . 0.0 110.927 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.26 117.08 31.84 Favored 'General case' 0 C--N 1.37 1.494 0 N-CA-C 103.573 -2.751 . . . . 0.0 103.573 166.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.93 137.08 51.85 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 125.178 1.391 . . . . 0.0 108.94 -176.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.352 0.711 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 p30 . . . . . 0 CA--C 1.512 -0.482 0 CA-C-O 122.796 1.284 . . . . 0.0 111.375 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 m -101.76 138.92 24.31 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 C-N-CA 127.334 2.254 . . . . 0.0 106.11 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.73 170.57 19.58 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 O-C-N 119.995 -1.691 . . . . 0.0 110.683 -176.292 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.4 m -119.29 123.63 44.7 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 121.254 -0.904 . . . . 0.0 113.373 -174.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.46 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 99.0 m-85 -104.19 133.58 48.88 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 124.042 0.937 . . . . 0.0 112.536 175.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -142.72 145.58 33.49 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 127.215 2.206 . . . . 0.0 109.583 -175.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.8 p -136.02 168.34 19.54 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 119.77 -1.831 . . . . 0.0 113.074 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.1 t80 . . . . . 0 C--N 1.36 1.053 0 C-N-CA 128.318 2.647 . . . . 0.0 108.249 -177.575 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 77.1 m95 . . . . . 0 N--CA 1.435 -1.195 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.8 p -142.32 159.65 19.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -82.82 141.04 32.6 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 126.431 1.892 . . . . 0.0 109.781 176.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -95.36 -57.79 2.31 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.11 0.964 . . . . 0.0 110.527 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.46 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 14.2 p90 -162.18 171.39 17.47 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -177.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 p -132.61 133.52 43.74 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 101.91 -3.367 . . . . 0.0 101.91 175.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.15 164.34 34.2 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -177.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.69 117.03 29.74 Favored 'General case' 0 C--N 1.366 1.321 0 N-CA-C 104.795 -2.298 . . . . 0.0 104.795 172.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -174.5 154.76 2.13 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 -167.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -108.21 107.16 17.66 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.479 ' HA ' HG22 ' A' ' 94' ' ' ILE 0.267 1.0 OUTLIER -128.67 112.63 26.72 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 N-CA-C 100.585 -3.858 . . . . 0.0 100.585 -178.258 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -140.09 146.94 48.53 Favored Pre-proline 0 C--N 1.361 1.087 0 O-C-N 120.794 -1.191 . . . . 0.0 110.396 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -71.56 155.06 59.84 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 124.352 3.368 . . . . 0.0 113.251 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.46 25.3 pt . . . . . 0 C--N 1.36 1.03 0 N-CA-C 119.575 3.176 . . . . 0.0 119.575 177.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.543 0 CA-C-O 123.072 1.373 . . . . 0.0 115.175 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -138.98 155.34 48.08 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -118.76 119.04 33.22 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 103.511 -2.774 . . . . 0.0 103.511 169.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.479 HG22 ' HA ' ' A' ' 72' ' ' VAL . 1.5 pp -139.03 131.26 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 176.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.07 114.68 19.38 Favored 'General case' 0 C--N 1.363 1.173 1 N-CA-C 96.755 -5.276 . . . . 0.0 96.755 165.698 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 53.6 m -138.28 109.28 8.17 Favored Pre-proline 0 C--N 1.349 0.58 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 -175.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -60.54 130.26 32.86 Favored 'Trans proline' 0 C--N 1.369 1.628 1 C-N-CA 125.685 4.257 . . . . 0.0 113.571 -176.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.393 0.4 OUTLIER 21.58 17.04 0.0 OUTLIER 'General case' 0 C--N 1.358 0.974 2 C-N-CA 135.349 5.459 . . . . 0.0 123.944 -173.484 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -104.08 110.31 22.44 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 129.478 3.111 . . . . 0.0 106.814 173.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -97.93 22.48 9.22 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 124.929 1.292 . . . . 0.0 113.455 -176.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.418 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.8 mmt180 -102.78 1.91 34.85 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -175.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.464 HG12 HD13 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -52.89 -58.52 2.68 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 1 C-N-CA 131.913 4.085 . . . . 0.0 114.189 178.648 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -129.59 112.95 14.23 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 126.912 2.085 . . . . 0.0 106.22 173.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -169.74 40.59 0.03 OUTLIER 'General case' 0 C--N 1.349 0.553 0 N-CA-C 103.935 -2.617 . . . . 0.0 103.935 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 50.8 tptt 71.42 75.31 0.18 Allowed 'General case' 0 C--N 1.366 1.31 0 C-N-CA 128.611 2.764 . . . . 0.0 111.768 -175.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.0 mtt -147.45 -177.72 5.85 Favored 'General case' 0 C--N 1.365 1.257 0 CA-C-O 122.597 1.189 . . . . 0.0 109.557 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -124.86 143.93 50.58 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 127.0 2.12 . . . . 0.0 106.203 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.9 p -146.39 146.38 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 O-C-N 120.13 -1.607 . . . . 0.0 108.63 -173.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.6 tt -121.26 107.97 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.529 0 N-CA-C 105.121 -2.177 . . . . 0.0 105.121 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.88 88.67 5.38 Favored 'General case' 0 C--N 1.386 2.152 0 C-N-CA 126.852 2.061 . . . . 0.0 109.212 176.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 62.07 41.31 11.11 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 127.343 2.257 . . . . 0.0 115.77 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.82 9.86 60.66 Favored Glycine 0 C--N 1.364 2.108 0 N-CA-C 117.704 1.842 . . . . 0.0 117.704 -178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -115.91 121.4 42.21 Favored 'General case' 0 C--N 1.36 1.05 0 CA-C-N 120.197 1.999 . . . . 0.0 107.193 177.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 15.2 tt -112.38 117.98 56.63 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 N-CA-C 115.019 1.488 . . . . 0.0 115.019 -172.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.0 t -132.95 162.22 40.36 Favored 'Isoleucine or valine' 0 C--N 1.373 1.616 0 C-N-CA 125.956 1.702 . . . . 0.0 109.058 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.6 t -118.72 137.85 53.05 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.11 1.764 . . . . 0.0 107.725 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -152.37 152.27 31.85 Favored 'General case' 0 C--N 1.362 1.134 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -174.073 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.0 142.14 42.84 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 C-N-CA 124.979 1.311 . . . . 0.0 108.052 175.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 176.84 -168.86 41.05 Favored Glycine 0 C--N 1.362 2.015 0 N-CA-C 106.866 -2.493 . . . . 0.0 106.866 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -150.91 127.01 5.06 Favored Pre-proline 0 C--N 1.37 1.46 0 CA-C-O 116.707 -1.616 . . . . 0.0 108.245 177.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -87.07 158.35 8.54 Favored 'Trans proline' 0 CA--C 1.553 1.449 1 C-N-CA 125.673 4.249 . . . . 0.0 112.552 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.6 t -100.29 135.77 34.65 Favored 'Isoleucine or valine' 0 C--N 1.361 1.067 0 C-N-CA 127.962 2.505 . . . . 0.0 109.289 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 . . . . . 0 C--N 1.362 1.132 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -177.659 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 C--O 1.225 -0.186 0 CA-C-O 121.715 0.769 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.437 HD13 HH21 ' A' ' 132' ' ' ARG . 19.4 tt -126.93 134.98 64.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 123.736 1.731 . . . . 0.0 113.263 -174.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.3 114.69 27.03 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 128.834 2.854 . . . . 0.0 104.903 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.437 HH21 HD13 ' A' ' 130' ' ' ILE . 29.1 ttm180 -125.79 138.26 53.83 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 125.77 1.628 . . . . 0.0 114.685 -172.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.44 ' H ' HG13 ' A' ' 94' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.366 1.297 0 N-CA-C 103.056 -2.942 . . . . 0.0 103.056 165.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.6 ptp . . . . . 0 N--CA 1.446 -0.664 0 CA-C-O 121.44 0.638 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -101.76 -29.04 12.11 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.638 1.975 . . . . 0.0 110.695 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 71.5 -73.85 0.09 Allowed 'General case' 0 C--N 1.365 1.246 0 C-N-CA 127.128 2.171 . . . . 0.0 114.715 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -122.52 125.25 45.36 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.733 2.013 . . . . 0.0 105.781 177.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.546 ' HB3' ' CD2' ' A' ' 71' ' ' HIS . 2.5 t80 -153.54 157.69 40.15 Favored 'General case' 0 C--N 1.359 0.992 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -171.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.406 HH12 ' HG3' ' A' ' 97' ' ' PRO . 81.3 mtt-85 -158.53 94.72 1.28 Allowed 'General case' 0 C--N 1.361 1.066 0 C-N-CA 128.417 2.687 . . . . 0.0 107.683 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.71 171.33 9.24 Favored 'General case' 0 CA--C 1.505 -0.783 0 O-C-N 119.66 -1.9 . . . . 0.0 106.485 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 m -96.88 114.67 34.39 Favored 'Isoleucine or valine' 0 C--N 1.367 1.359 0 CA-C-O 125.461 2.553 . . . . 0.0 104.514 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 70' ' ' ALA . 10.5 pt -132.43 158.5 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 112.323 -2.217 . . . . 0.0 107.836 -171.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.9 m -116.68 122.56 44.9 Favored 'General case' 0 C--N 1.365 1.268 0 CA-C-O 122.71 1.243 . . . . 0.0 110.633 -174.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -94.58 123.66 38.15 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 126.965 2.106 . . . . 0.0 109.96 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -135.15 173.05 12.15 Favored 'General case' 0 C--N 1.375 1.713 0 CA-C-O 122.615 1.198 . . . . 0.0 107.879 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.1 m -122.89 137.8 54.84 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 126.265 1.826 . . . . 0.0 111.805 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -123.27 117.18 24.69 Favored 'General case' 0 C--N 1.352 0.706 1 N-CA-C 100.023 -4.066 . . . . 0.0 100.023 167.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.5 t -136.49 128.75 44.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 104.354 -2.462 . . . . 0.0 104.354 -176.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -81.73 56.48 3.05 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 125.878 1.671 . . . . 0.0 112.493 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . 0.346 18.4 mt-30 99.0 139.88 0.01 OUTLIER 'General case' 0 C--N 1.365 1.266 0 C-N-CA 130.363 3.465 . . . . 0.0 114.306 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.9 t -95.36 45.43 1.1 Allowed 'General case' 0 C--N 1.365 1.268 0 O-C-N 119.742 -1.849 . . . . 0.0 112.555 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -152.33 -177.24 6.07 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 128.195 2.598 . . . . 0.0 106.142 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.68 33.44 2.58 Favored Glycine 0 C--N 1.364 2.127 0 N-CA-C 118.644 2.218 . . . . 0.0 118.644 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -128.25 93.24 3.61 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 127.776 2.43 . . . . 0.0 105.839 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.15 90.26 1.63 Allowed Glycine 0 C--N 1.363 2.053 0 C-N-CA 125.52 1.534 . . . . 0.0 110.542 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.64 -149.43 21.57 Favored Glycine 0 C--N 1.353 1.519 0 N-CA-C 105.958 -2.857 . . . . 0.0 105.958 -175.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 80.9 tttt 67.81 -64.42 0.28 Allowed 'General case' 0 C--N 1.363 1.154 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 175.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 61.5 p -138.77 164.6 29.17 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 106.16 -1.793 . . . . 0.0 106.16 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -134.19 139.66 45.99 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.637 -1.915 . . . . 0.0 109.218 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -125.54 138.13 53.95 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 125.703 1.601 . . . . 0.0 110.724 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -105.04 134.86 47.44 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 129.193 2.997 . . . . 0.0 111.52 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.37 160.74 17.11 Favored 'Isoleucine or valine' 0 C--N 1.368 1.387 0 C-N-CA 125.571 1.549 . . . . 0.0 107.613 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -103.63 139.57 38.74 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 126.065 1.746 . . . . 0.0 109.885 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -99.3 -60.71 1.48 Allowed 'General case' 0 C--N 1.367 1.345 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -173.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' A' ' 101' ' ' ARG . 17.6 p90 -164.83 172.81 12.46 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -178.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 p -129.98 133.46 46.8 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 104.306 -2.479 . . . . 0.0 104.306 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.94 164.16 35.36 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-O 123.344 1.545 . . . . 0.0 114.771 -176.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.22 112.7 24.32 Favored 'General case' 0 C--N 1.37 1.497 0 N-CA-C 102.869 -3.011 . . . . 0.0 102.869 167.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.403 ' HB3' HD11 ' A' ' 43' ' ' ILE . . . -157.23 169.26 25.16 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.562 -166.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.546 ' CD2' ' HB3' ' A' ' 39' ' ' PHE . 21.5 t-160 -134.33 111.01 9.86 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 175.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.518 ' HA ' ' HB ' ' A' ' 94' ' ' ILE . 15.4 t -111.02 125.45 68.36 Favored 'Isoleucine or valine' 0 C--N 1.363 1.178 0 N-CA-C 101.259 -3.608 . . . . 0.0 101.259 171.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -133.51 138.74 31.91 Favored Pre-proline 0 C--N 1.364 1.199 0 CA-C-O 116.99 -1.481 . . . . 0.0 109.007 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.87 155.02 58.43 Favored 'Trans proline' 0 C--N 1.371 1.758 0 C-N-CA 124.953 3.769 . . . . 0.0 112.901 171.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.3 tt -62.46 -33.01 57.09 Favored 'Isoleucine or valine' 0 C--N 1.362 1.143 0 N-CA-C 117.812 2.523 . . . . 0.0 117.812 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . 0.338 89.2 p 81.05 -59.75 0.25 Allowed 'General case' 0 C--N 1.361 1.086 0 C-N-CA 130.187 3.395 . . . . 0.0 112.613 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -147.87 -112.69 0.08 Allowed 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 105.142 -2.169 . . . . 0.0 105.142 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -97.66 6.83 47.44 Favored 'General case' 0 C--N 1.359 0.999 0 O-C-N 120.77 -1.206 . . . . 0.0 112.805 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 74.55 -47.52 0.63 Allowed 'General case' 0 C--N 1.365 1.246 0 C-N-CA 128.402 2.681 . . . . 0.0 115.775 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -94.26 -17.84 22.26 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 128.466 2.707 . . . . 0.0 110.913 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . 0.262 14.4 m-85 65.81 -81.96 0.03 OUTLIER 'General case' 0 C--N 1.359 1.022 0 C-N-CA 130.046 3.339 . . . . 0.0 116.261 177.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 48.34 -57.35 0.0 OUTLIER 'General case' 0 C--N 1.362 1.147 1 C-N-CA 132.192 4.197 . . . . 0.0 120.787 177.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.95 -61.6 1.55 Allowed 'General case' 0 C--N 1.353 0.729 0 C-N-CA 126.136 1.774 . . . . 0.0 111.364 -178.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.487 ' HG3' ' H ' ' A' ' 85' ' ' GLN 0.356 1.2 pt20 146.9 -121.85 0.0 OUTLIER 'General case' 0 C--N 1.363 1.186 0 C-N-CA 130.118 3.367 . . . . 0.0 108.452 178.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.487 ' H ' ' HG3' ' A' ' 84' ' ' GLN 0.37 33.0 mt-30 87.17 156.65 0.07 Allowed 'General case' 0 C--N 1.36 1.024 1 C-N-CA 131.763 4.025 . . . . 0.0 112.552 -177.614 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.9 tp -140.3 144.89 36.62 Favored 'General case' 0 C--N 1.364 1.237 0 O-C-N 120.206 -1.559 . . . . 0.0 110.01 -177.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -179.66 167.26 1.39 Allowed 'General case' 0 C--N 1.359 0.993 0 N-CA-C 101.429 -3.545 . . . . 0.0 101.429 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.6 m -85.57 129.37 55.27 Favored Pre-proline 0 C--N 1.358 0.936 0 C-N-CA 128.064 2.545 . . . . 0.0 107.808 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -73.59 124.75 9.54 Favored 'Trans proline' 0 C--N 1.359 1.082 0 C-N-CA 124.21 3.273 . . . . 0.0 114.116 -169.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.7 pt -128.28 23.33 2.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 C-N-CA 127.422 2.289 . . . . 0.0 109.88 -177.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -131.51 142.39 13.78 Favored Glycine 0 C--N 1.363 2.068 0 CA-C-O 122.84 1.245 . . . . 0.0 112.402 -175.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -127.01 147.97 50.12 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 123.702 1.715 . . . . 0.0 109.958 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -124.09 130.89 53.31 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 111.562 -2.563 . . . . 0.0 107.609 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.518 ' HB ' ' HA ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -143.11 147.24 20.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 O-C-N 119.795 -1.816 . . . . 0.0 111.748 -179.4 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -128.56 132.34 48.24 Favored 'General case' 0 C--N 1.369 1.443 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 169.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.7 m -139.01 143.1 35.64 Favored Pre-proline 0 C--N 1.359 1.012 0 N-CA-C 103.006 -2.961 . . . . 0.0 103.006 173.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.406 ' HG3' HH12 ' A' ' 40' ' ' ARG . 72.9 Cg_endo -70.25 124.38 10.82 Favored 'Trans proline' 0 C--N 1.373 1.863 0 CA-C-N 125.854 3.126 . . . . 0.0 108.725 175.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.372 2.5 t80 32.12 19.35 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.975 1 C-N-CA 133.915 4.886 . . . . 0.0 120.765 -170.533 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -98.02 125.99 43.23 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 119.032 -2.292 . . . . 0.0 108.584 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.423 ' HA ' HD11 ' A' ' 133' ' ' ILE . 3.7 m-20 -112.75 13.37 19.79 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 126.359 1.864 . . . . 0.0 112.454 -174.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.436 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 18.9 tpt180 -102.04 -2.77 28.86 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 117.762 2.504 . . . . 0.0 117.762 -170.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.514 ' H ' HD12 ' A' ' 102' ' ' ILE . 3.2 mp -63.24 -69.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.733 0 C-N-CA 128.368 2.667 . . . . 0.0 114.495 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -106.57 111.35 23.87 Favored 'General case' 0 C--N 1.363 1.184 0 O-C-N 121.358 -0.839 . . . . 0.0 109.908 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.0 tptm 178.02 42.88 0.0 OUTLIER 'General case' 0 C--N 1.35 0.605 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.25 7.0 tmtm? 79.46 80.03 0.05 Allowed 'General case' 0 C--N 1.367 1.341 0 C-N-CA 127.996 2.518 . . . . 0.0 110.714 -175.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.8 mmt -147.77 173.24 12.99 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.615 -1.303 . . . . 0.0 108.542 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -138.88 98.37 3.53 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 104.826 -2.287 . . . . 0.0 104.826 176.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 m -108.13 158.84 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.72 0 O-C-N 116.825 -3.672 . . . . 0.0 112.024 -169.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.1 tt -117.18 107.19 21.68 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-O 123.681 1.705 . . . . 0.0 108.989 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.445 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 3.6 p90 -112.79 128.27 56.39 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.096 1.758 . . . . 0.0 108.043 175.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 46.1 32.19 1.35 Allowed 'General case' 0 C--N 1.367 1.338 0 C-N-CA 128.823 2.849 . . . . 0.0 118.063 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.6 0.2 73.03 Favored Glycine 0 C--N 1.359 1.842 0 C-N-CA 126.377 1.941 . . . . 0.0 116.471 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -106.09 124.91 50.32 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-N 119.9 1.85 . . . . 0.0 111.548 -176.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.56 117.33 42.09 Favored 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 125.028 1.331 . . . . 0.0 109.337 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.7 p -131.2 153.69 39.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 O-C-N 120.587 -1.321 . . . . 0.0 111.315 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.8 t -117.01 136.1 53.2 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 128.138 2.575 . . . . 0.0 107.848 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -168.89 153.05 5.55 Favored 'General case' 0 C--N 1.361 1.097 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -174.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.96 143.3 35.01 Favored 'Isoleucine or valine' 0 C--N 1.367 1.332 0 C-N-CA 125.601 1.56 . . . . 0.0 107.091 176.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.85 -162.93 13.73 Favored Glycine 0 C--N 1.365 2.192 0 O-C-N 119.835 -1.791 . . . . 0.0 114.033 -174.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -146.26 126.6 7.03 Favored Pre-proline 0 C--N 1.37 1.458 0 C-N-CA 125.659 1.584 . . . . 0.0 110.664 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -87.61 147.51 7.26 Favored 'Trans proline' 0 C--N 1.363 1.336 0 C-N-CA 124.468 3.445 . . . . 0.0 113.655 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.05 142.05 44.55 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 127.151 2.181 . . . . 0.0 105.885 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -94.26 153.14 18.19 Favored 'General case' 0 C--N 1.364 1.212 0 O-C-N 118.47 -2.644 . . . . 0.0 108.77 175.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 tt -69.48 -29.15 66.74 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 125.369 1.468 . . . . 0.0 113.624 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . 0.317 14.9 m 94.72 -160.58 0.0 OUTLIER 'General case' 0 C--N 1.358 0.959 0 C-N-CA 129.444 3.098 . . . . 0.0 112.488 172.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 74.05 -90.97 0.7 Allowed Glycine 0 C--N 1.365 2.152 0 C-N-CA 127.72 2.581 . . . . 0.0 114.969 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.54 ' H ' HD23 ' A' ' 127' ' ' LEU . 2.0 pt? -95.08 -21.75 18.34 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 126.884 2.074 . . . . 0.0 112.46 177.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . 0.273 66.5 mt-30 76.59 64.42 0.05 OUTLIER 'General case' 0 C--N 1.358 0.955 0 C-N-CA 128.884 2.874 . . . . 0.0 111.827 -177.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -104.54 -46.91 4.23 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 125.072 1.349 . . . . 0.0 111.861 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.4 mt -109.7 140.61 27.88 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 O-C-N 120.634 -1.291 . . . . 0.0 111.867 -176.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 51.7 m -108.28 135.19 50.02 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 128.282 2.633 . . . . 0.0 105.763 170.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -119.01 123.28 44.16 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 105.831 -1.915 . . . . 0.0 105.831 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.423 HD11 ' HA ' ' A' ' 100' ' ' ASP . 9.3 mt -125.86 146.34 31.79 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 -174.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -124.49 143.45 50.65 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 104.489 -2.412 . . . . 0.0 104.489 171.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.54 155.0 26.32 Favored Glycine 0 CA--C 1.487 -1.695 0 N-CA-C 108.936 -1.665 . . . . 0.0 108.936 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -148.17 161.05 42.23 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 117.952 0.876 . . . . 0.0 109.934 -177.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -121.0 141.29 50.86 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-O 122.429 1.109 . . . . 0.0 111.582 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -131.31 -98.63 0.32 Allowed 'General case' 0 C--N 1.354 0.769 0 C-N-CA 125.898 1.679 . . . . 0.0 107.461 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 170.18 -176.21 43.94 Favored Glycine 0 C--N 1.355 1.636 0 N-CA-C 108.103 -1.999 . . . . 0.0 108.103 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -152.65 84.7 1.24 Allowed 'General case' 0 C--N 1.359 1.021 0 C-N-CA 125.081 1.352 . . . . 0.0 109.323 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 68.93 -77.35 0.05 Allowed 'General case' 0 C--N 1.364 1.217 0 C-N-CA 129.251 3.021 . . . . 0.0 115.254 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.5 m -115.72 -25.3 3.26 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 C-N-CA 127.148 2.179 . . . . 0.0 110.224 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 1.701 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -178.335 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.438 -1.034 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.4 t80 97.43 -77.02 0.0 OUTLIER 'General case' 0 C--N 1.361 1.083 0 C-N-CA 130.308 3.443 . . . . 0.0 107.386 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 64.21 46.22 3.68 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 128.573 2.749 . . . . 0.0 116.504 173.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -160.22 160.04 32.25 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 120.211 -1.556 . . . . 0.0 108.437 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -113.36 126.4 55.33 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 176.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.451 HH22 ' HG3' ' A' ' 97' ' ' PRO . 70.6 mtp85 -135.71 108.41 7.5 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 176.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -133.27 169.26 17.15 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 103.371 -2.825 . . . . 0.0 103.371 174.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -96.6 115.35 35.81 Favored 'Isoleucine or valine' 0 C--N 1.365 1.262 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.7 mm -111.92 140.73 30.09 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 C-N-CA 126.645 1.978 . . . . 0.0 106.922 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.7 m -105.54 120.71 42.32 Favored 'General case' 0 C--N 1.369 1.416 0 CA-C-N 119.352 0.978 . . . . 0.0 110.806 -174.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.496 ' CZ ' HG22 ' A' ' 102' ' ' ILE . 93.2 m-85 -112.79 135.71 53.23 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 116.582 2.067 . . . . 0.0 116.582 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -121.19 154.49 36.17 Favored 'General case' 0 C--N 1.384 2.102 0 C-N-CA 128.114 2.566 . . . . 0.0 112.653 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.8 p -123.81 162.3 23.5 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 124.738 1.215 . . . . 0.0 110.523 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -105.21 116.58 32.18 Favored 'General case' 0 C--N 1.362 1.123 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 t -139.67 148.05 23.5 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 O-C-N 121.399 -0.813 . . . . 0.0 109.979 -166.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -87.97 60.85 6.06 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 125.232 1.413 . . . . 0.0 112.31 175.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.5 101.35 13.05 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 128.443 2.697 . . . . 0.0 108.214 177.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.8 t -139.41 -163.59 1.52 Allowed 'General case' 0 C--N 1.355 0.817 0 C-N-CA 125.1 1.36 . . . . 0.0 110.676 -174.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -108.96 -6.17 15.81 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.98 2.512 . . . . 0.0 111.346 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.2 -57.87 0.51 Allowed Glycine 0 C--N 1.36 1.912 0 C-N-CA 126.917 2.198 . . . . 0.0 113.293 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -107.55 -40.26 5.39 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.604 1.561 . . . . 0.0 113.652 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.39 59.03 4.96 Favored Glycine 0 C--N 1.368 2.345 0 O-C-N 119.721 -1.862 . . . . 0.0 115.612 -174.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.8 100.58 1.06 Allowed Glycine 0 C--N 1.355 1.612 0 C-N-CA 127.781 2.61 . . . . 0.0 110.494 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -110.4 64.1 0.61 Allowed 'General case' 0 C--N 1.357 0.922 0 CA-C-O 123.695 1.712 . . . . 0.0 109.389 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.7 t -150.58 -167.97 2.97 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 126.544 1.938 . . . . 0.0 107.494 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -112.34 138.74 48.64 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 126.464 1.906 . . . . 0.0 110.915 -171.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -124.52 141.46 52.07 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.173 1.389 . . . . 0.0 110.146 -175.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -87.75 112.8 22.8 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 128.375 2.67 . . . . 0.0 113.501 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.0 m -133.8 161.8 40.45 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -72.59 122.59 21.62 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.386 2.275 . . . . 0.0 113.611 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -84.42 -45.11 13.05 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 129.136 2.974 . . . . 0.0 110.021 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 4.7 p90 -171.79 176.85 3.52 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.4 m -141.4 132.37 26.07 Favored 'General case' 0 CA--C 1.497 -1.062 1 N-CA-C 99.221 -4.363 . . . . 0.0 99.221 172.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.56 163.18 36.61 Favored 'General case' 0 CA--C 1.5 -0.967 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.73 113.38 20.35 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 125.321 1.448 . . . . 0.0 108.085 175.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -165.08 170.44 15.05 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.271 -167.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -119.63 107.73 13.61 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 102.043 -3.317 . . . . 0.0 102.043 171.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.563 HG13 HG13 ' A' ' 94' ' ' ILE . 3.6 t -126.96 98.82 4.96 Favored 'Isoleucine or valine' 0 C--N 1.361 1.084 1 N-CA-C 99.209 -4.367 . . . . 0.0 99.209 -175.32 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.68 163.02 53.73 Favored Pre-proline 0 C--N 1.379 1.849 0 C-N-CA 125.521 1.528 . . . . 0.0 111.246 -172.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -71.54 145.9 48.29 Favored 'Trans proline' 0 C--N 1.374 1.882 1 C-N-CA 125.593 4.196 . . . . 0.0 110.568 171.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 pt -33.85 58.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.715 1 N-CA-C 122.722 4.341 . . . . 0.0 122.722 -178.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.0 t 67.21 29.72 7.56 Favored 'General case' 0 C--N 1.369 1.423 0 C-N-CA 128.346 2.658 . . . . 0.0 114.983 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 119.86 -150.33 0.0 OUTLIER 'General case' 0 C--N 1.358 0.967 1 C-N-CA 133.437 4.695 . . . . 0.0 101.565 -174.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -101.23 2.73 40.24 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 120.529 1.513 . . . . 0.0 111.358 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 70.28 -83.25 0.03 OUTLIER 'General case' 0 C--N 1.368 1.399 0 C-N-CA 128.685 2.794 . . . . 0.0 113.454 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -97.37 -22.26 16.72 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 126.483 1.913 . . . . 0.0 114.828 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -88.27 158.24 18.53 Favored 'General case' 0 C--N 1.363 1.175 0 N-CA-C 116.833 2.16 . . . . 0.0 116.833 -168.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -88.58 178.83 6.41 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 127.077 2.151 . . . . 0.0 114.015 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.0 5.34 41.33 Favored 'General case' 0 C--N 1.363 1.172 0 N-CA-C 118.457 2.762 . . . . 0.0 118.457 -171.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -156.3 156.72 34.5 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 104.328 -2.471 . . . . 0.0 104.328 174.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 88.68 45.13 0.01 OUTLIER 'General case' 0 C--N 1.358 0.967 0 C-N-CA 130.212 3.405 . . . . 0.0 106.789 -173.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.4 tp -122.46 72.29 1.06 Allowed 'General case' 0 C--N 1.357 0.925 0 C-N-CA 125.504 1.522 . . . . 0.0 108.894 -176.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -95.32 9.8 38.52 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.271 1.828 . . . . 0.0 111.372 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 83.5 m -158.59 133.2 5.38 Favored Pre-proline 0 C--N 1.353 0.742 0 N-CA-C 104.628 -2.36 . . . . 0.0 104.628 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.1 153.42 24.89 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 C-N-CA 124.658 3.572 . . . . 0.0 114.774 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 88.2 mt -104.57 -40.48 6.11 Favored 'Isoleucine or valine' 0 C--N 1.367 1.34 0 C-N-CA 125.036 1.334 . . . . 0.0 111.463 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -174.26 150.75 11.87 Favored Glycine 0 CA--C 1.484 -1.871 0 O-C-N 118.782 -2.449 . . . . 0.0 111.749 175.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -122.2 143.58 49.49 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 122.919 1.342 . . . . 0.0 108.468 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -127.53 120.92 29.35 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 127.471 2.308 . . . . 0.0 105.338 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.563 HG13 HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -149.27 145.98 17.47 Favored 'Isoleucine or valine' 0 C--N 1.35 0.61 0 CA-C-O 122.458 1.123 . . . . 0.0 113.227 -170.83 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.309 0.9 OUTLIER -131.72 132.76 44.14 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 126.141 1.776 . . . . 0.0 107.47 166.439 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.0 t -139.55 146.04 46.27 Favored Pre-proline 0 C--N 1.371 1.512 0 N-CA-C 104.103 -2.555 . . . . 0.0 104.103 174.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.451 ' HG3' HH22 ' A' ' 40' ' ' ARG . 97.5 Cg_endo -73.81 126.94 11.11 Favored 'Trans proline' 0 C--N 1.364 1.373 0 C-N-CA 124.999 3.799 . . . . 0.0 110.232 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.364 1.0 OUTLIER 46.46 -5.76 0.0 OUTLIER 'General case' 0 C--N 1.359 0.992 1 C-N-CA 132.344 4.257 . . . . 0.0 121.553 -175.789 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.77 125.96 35.12 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 119.308 -2.12 . . . . 0.0 112.656 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -110.92 24.82 12.46 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 127.317 2.247 . . . . 0.0 108.736 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.501 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 92.9 mtt180 -102.38 -12.35 17.96 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 117.588 2.44 . . . . 0.0 117.588 -171.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.496 HG22 ' CZ ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -47.41 -72.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.368 1.412 1 C-N-CA 132.22 4.208 . . . . 0.0 119.399 -177.693 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.493 ' H ' HG12 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -104.95 165.22 11.22 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 128.187 2.595 . . . . 0.0 109.666 179.066 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 118' ' ' ILE 0.339 47.2 tttm 103.0 77.23 0.0 OUTLIER 'General case' 0 C--N 1.372 1.545 0 C-N-CA 127.612 2.365 . . . . 0.0 111.796 176.068 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.9 tttt 81.23 21.71 0.36 Allowed 'General case' 0 C--N 1.371 1.509 0 C-N-CA 127.273 2.229 . . . . 0.0 110.032 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 24.7 mmt -109.47 165.78 11.39 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 120.637 -1.29 . . . . 0.0 112.385 -171.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -127.92 129.26 46.55 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.385 2.274 . . . . 0.0 105.159 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.514 HG11 ' CZ ' ' A' ' 117' ' ' PHE . 6.1 p -136.5 151.74 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-O 122.563 1.173 . . . . 0.0 110.021 -172.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 112' ' ' GLY . 4.1 mp -120.11 107.41 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 CA-C-N 112.819 -1.991 . . . . 0.0 107.005 174.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.11 101.56 13.32 Favored 'General case' 0 C--N 1.382 1.993 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 169.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 52.1 34.4 14.07 Favored 'General case' 0 C--N 1.367 1.361 0 N-CA-C 118.052 2.612 . . . . 0.0 118.052 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 109' ' ' ILE . . . 93.01 11.25 58.99 Favored Glycine 0 C--N 1.36 1.913 0 C-N-CA 125.433 1.492 . . . . 0.0 116.749 -173.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -105.95 115.42 30.19 Favored 'General case' 0 C--N 1.36 1.064 0 CA-C-N 119.667 1.734 . . . . 0.0 110.102 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.3 pt -94.11 112.8 27.54 Favored 'Isoleucine or valine' 0 C--N 1.366 1.321 0 C-N-CA 125.953 1.701 . . . . 0.0 114.157 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.4 t -131.77 155.86 42.05 Favored 'Isoleucine or valine' 0 C--N 1.365 1.276 0 C-N-CA 126.872 2.069 . . . . 0.0 108.5 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.9 t -127.7 141.61 51.55 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.514 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -162.72 172.72 14.86 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 117.316 2.339 . . . . 0.0 117.316 -164.494 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 104' ' ' LYS . 24.0 pt -124.75 173.2 11.22 Favored 'Isoleucine or valine' 0 C--N 1.372 1.546 0 C-N-CA 131.214 3.806 . . . . 0.0 110.09 177.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 163.16 -158.73 31.15 Favored Glycine 0 C--N 1.364 2.127 0 N-CA-C 107.536 -2.226 . . . . 0.0 107.536 -176.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -158.83 109.39 1.6 Allowed Pre-proline 0 C--N 1.363 1.168 0 C-N-CA 125.748 1.619 . . . . 0.0 110.117 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -88.36 146.25 6.17 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 125.0 3.8 . . . . 0.0 115.072 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.0 t -132.52 147.69 31.9 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 N-CA-C 103.329 -2.841 . . . . 0.0 103.329 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -90.53 123.94 34.61 Favored 'General case' 0 C--N 1.372 1.567 0 C-N-CA 125.843 1.657 . . . . 0.0 108.623 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.4 tp -93.3 -36.51 12.52 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 117.705 2.483 . . . . 0.0 117.705 -169.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . 0.378 83.4 p 102.94 -112.89 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 127.71 2.404 . . . . 0.0 111.234 -176.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 90.54 -57.93 3.42 Favored Glycine 0 C--N 1.363 2.067 0 C-N-CA 127.439 2.447 . . . . 0.0 116.49 177.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 60.0 tp -150.19 -59.04 0.19 Allowed 'General case' 0 C--N 1.352 0.704 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -101.22 -126.81 0.2 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.506 2.322 . . . . 0.0 105.813 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -127.26 88.98 2.89 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 119.101 -2.25 . . . . 0.0 106.26 174.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.4 pp -92.39 133.92 32.18 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 O-C-N 118.967 -2.333 . . . . 0.0 109.916 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 48.2 m -98.55 130.64 45.11 Favored 'General case' 0 C--N 1.361 1.08 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -125.02 132.36 53.25 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 126.017 1.727 . . . . 0.0 107.584 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.54 145.07 36.13 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.872 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -128.08 121.61 30.07 Favored 'General case' 0 C--N 1.358 0.944 0 N-CA-C 104.422 -2.436 . . . . 0.0 104.422 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -133.49 124.77 3.78 Favored Glycine 0 C--N 1.359 1.835 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? -126.99 137.44 53.1 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 104.648 -2.353 . . . . 0.0 104.648 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -117.21 127.67 54.33 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 126.49 1.916 . . . . 0.0 108.521 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 20.6 t70 77.1 -65.05 0.3 Allowed 'General case' 0 C--N 1.367 1.335 0 C-N-CA 127.385 2.274 . . . . 0.0 113.595 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 138.87 -161.1 25.85 Favored Glycine 0 C--N 1.358 1.755 0 CA-C-O 123.081 1.378 . . . . 0.0 112.573 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -102.41 57.24 0.79 Allowed 'General case' 0 C--N 1.352 0.695 0 C-N-CA 127.444 2.298 . . . . 0.0 110.083 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -117.91 105.49 11.97 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 126.765 2.026 . . . . 0.0 106.239 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 10.2 p -120.38 141.24 41.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 C-N-CA 125.342 1.457 . . . . 0.0 108.26 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.423 0 N-CA-C 107.295 -2.322 . . . . 0.0 107.295 -179.529 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.436 -1.171 0 CA-C-O 122.257 1.027 . . . . 0.0 108.583 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -72.61 30.67 0.06 Allowed 'General case' 0 C--N 1.358 0.951 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 -177.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -162.14 40.12 0.12 Allowed 'General case' 0 C--N 1.351 0.667 0 C-N-CA 127.102 2.161 . . . . 0.0 105.91 177.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -123.57 69.43 1.03 Allowed 'General case' 0 C--N 1.358 0.944 0 O-C-N 120.267 -1.521 . . . . 0.0 109.213 -177.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.435 ' CZ ' ' CE2' ' A' ' 95' ' ' TYR . 27.1 m-85 -114.87 84.04 2.0 Favored 'General case' 0 C--N 1.359 1.01 0 C-N-CA 126.71 2.004 . . . . 0.0 108.16 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -90.77 -9.68 45.7 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 125.46 1.504 . . . . 0.0 111.586 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -116.84 135.5 53.69 Favored 'General case' 0 C--N 1.364 1.222 0 O-C-N 120.907 -1.121 . . . . 0.0 111.589 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.4 m -108.32 116.36 51.39 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 N-CA-C 103.522 -2.77 . . . . 0.0 103.522 172.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.31 171.01 14.65 Favored 'Isoleucine or valine' 0 C--N 1.344 0.342 0 O-C-N 119.895 -1.753 . . . . 0.0 112.561 -166.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -115.7 113.34 23.36 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 124.24 1.016 . . . . 0.0 111.32 -169.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.42 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 27.7 m-85 -107.61 130.5 54.89 Favored 'General case' 0 C--N 1.362 1.117 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -175.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -120.97 159.48 25.51 Favored 'General case' 0 C--N 1.386 2.17 0 C-N-CA 126.863 2.065 . . . . 0.0 115.533 -171.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 m -145.55 148.38 33.12 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 125.772 1.629 . . . . 0.0 109.772 173.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -115.65 125.95 53.53 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 125.942 1.697 . . . . 0.0 108.654 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.0 p -112.11 133.02 59.16 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 175.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -160.08 173.28 16.06 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -174.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -164.84 129.75 2.61 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 103.617 -2.735 . . . . 0.0 103.617 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 p -74.4 63.05 1.02 Allowed 'General case' 0 C--N 1.362 1.122 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . 0.267 63.4 t30 101.63 -71.36 0.0 OUTLIER 'General case' 0 C--N 1.362 1.134 0 C-N-CA 130.475 3.51 . . . . 0.0 110.209 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 33.41 -87.61 0.01 OUTLIER Glycine 0 C--N 1.369 2.392 0 C-N-CA 130.025 3.679 . . . . 0.0 120.625 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -102.96 30.63 4.66 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 125.896 1.678 . . . . 0.0 114.106 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.3 27.07 10.31 Favored Glycine 0 C--N 1.363 2.04 0 C-N-CA 125.477 1.513 . . . . 0.0 114.215 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -99.42 84.26 0.62 Allowed Glycine 0 C--N 1.353 1.51 0 C-N-CA 127.002 2.239 . . . . 0.0 112.557 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -104.02 12.93 33.53 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 126.805 2.042 . . . . 0.0 110.864 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.4 m -154.58 150.82 28.14 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 102.358 -3.201 . . . . 0.0 102.358 177.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -117.72 166.84 11.95 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 124.882 1.273 . . . . 0.0 110.917 -173.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -122.95 122.97 39.85 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-O 121.572 0.701 . . . . 0.0 111.822 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -104.32 123.47 47.45 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 127.678 2.391 . . . . 0.0 107.023 175.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.7 m -131.14 161.27 41.36 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 O-C-N 121.248 -0.907 . . . . 0.0 109.299 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -90.24 115.02 27.14 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 127.506 2.322 . . . . 0.0 104.889 172.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -68.59 -48.57 63.83 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 127.552 2.341 . . . . 0.0 112.457 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.42 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 2.3 p90 -171.07 172.22 5.49 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.02 132.44 41.86 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 101.117 -3.661 . . . . 0.0 101.117 176.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.1 164.2 38.14 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 122.353 1.073 . . . . 0.0 113.893 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.88 121.41 27.69 Favored 'General case' 0 C--N 1.363 1.152 0 C-N-CA 126.501 1.921 . . . . 0.0 107.338 171.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.09 164.58 22.82 Favored 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 120.601 -1.312 . . . . 0.0 107.711 -172.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -124.5 106.15 9.95 Favored 'General case' 0 C--N 1.359 1.014 0 N-CA-C 101.818 -3.401 . . . . 0.0 101.818 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.411 HG22 HG21 ' A' ' 102' ' ' ILE . 36.8 t -107.26 117.12 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 128.142 2.577 . . . . 0.0 104.554 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -140.9 164.19 37.74 Favored Pre-proline 0 C--N 1.357 0.914 0 O-C-N 120.296 -1.503 . . . . 0.0 110.327 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -69.11 156.2 65.76 Favored 'Trans proline' 0 CA--C 1.552 1.414 1 C-N-CA 125.752 4.301 . . . . 0.0 113.071 175.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 tt -70.32 32.9 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.561 1.402 0 CA-C-N 122.094 2.225 . . . . 0.0 116.765 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.1 m 169.45 107.11 0.01 OUTLIER 'General case' 0 C--N 1.355 0.818 0 C-N-CA 130.412 3.485 . . . . 0.0 107.635 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -91.7 13.94 16.68 Favored 'General case' 0 C--N 1.368 1.371 0 O-C-N 119.868 -1.77 . . . . 0.0 113.36 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -85.46 9.4 15.84 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 129.11 2.964 . . . . 0.0 112.594 177.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -147.11 160.94 41.82 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 127.267 2.227 . . . . 0.0 105.255 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -79.08 -20.29 49.15 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 129.272 3.029 . . . . 0.0 115.257 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -166.0 -162.64 0.56 Allowed 'General case' 0 C--N 1.351 0.641 0 N-CA-C 103.623 -2.732 . . . . 0.0 103.623 -177.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -130.2 73.7 1.55 Allowed 'General case' 0 C--N 1.351 0.667 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 173.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.11 -21.19 64.96 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 117.886 2.55 . . . . 0.0 117.886 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -118.55 90.86 3.42 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 126.58 1.952 . . . . 0.0 111.929 -177.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -89.66 72.13 7.77 Favored 'General case' 0 C--N 1.366 1.289 0 O-C-N 119.264 -2.148 . . . . 0.0 115.165 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.9 tp -137.92 138.0 38.57 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 102.589 -3.115 . . . . 0.0 102.589 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 80.86 -67.24 0.12 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.329 2.252 . . . . 0.0 112.111 -175.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.6 m -117.89 107.37 44.24 Favored Pre-proline 0 C--N 1.354 0.778 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -80.03 124.14 5.4 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 124.057 3.172 . . . . 0.0 110.572 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . 0.314 13.4 tt -1.77 81.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.374 1.655 1 C-N-CA 132.057 4.143 . . . . 0.0 119.065 179.246 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -108.87 149.04 16.98 Favored Glycine 0 C--N 1.365 2.177 0 CA-C-N 114.742 -1.117 . . . . 0.0 113.797 -171.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.404 ' CE1' HG21 ' A' ' 115' ' ' VAL . 4.6 m-85 -113.14 159.02 19.67 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 124.833 2.254 . . . . 0.0 111.548 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -124.38 120.58 32.52 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 103.174 -2.898 . . . . 0.0 103.174 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.41 HD12 HG22 ' A' ' 72' ' ' VAL . 3.6 mm -120.81 133.02 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 C-N-CA 124.88 1.272 . . . . 0.0 108.254 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.435 ' CE2' ' CZ ' ' A' ' 39' ' ' PHE 0.391 1.8 p90 -129.82 140.55 51.0 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 164.601 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 m -139.82 151.88 66.8 Favored Pre-proline 0 C--N 1.354 0.774 0 C-N-CA 126.235 1.814 . . . . 0.0 108.324 -171.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -75.8 125.78 9.02 Favored 'Trans proline' 0 CA--C 1.556 1.588 0 CA-C-N 125.591 3.032 . . . . 0.0 108.229 162.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.361 0.0 OUTLIER 34.51 2.42 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.911 2 N-CA-C 124.731 5.086 . . . . 0.0 124.731 -176.201 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -103.38 131.94 50.05 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 119.694 -1.879 . . . . 0.0 112.261 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -107.68 25.95 10.88 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 126.486 1.914 . . . . 0.0 111.513 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.9 ttp-105 -102.54 1.42 34.95 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 119.506 3.15 . . . . 0.0 119.506 -167.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.602 HG23 HG11 ' A' ' 108' ' ' VAL . 3.2 mp -72.0 -67.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.673 0 CA-C-N 123.531 2.878 . . . . 0.0 113.194 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.497 ' HB3' ' CE1' ' A' ' 117' ' ' PHE . 35.3 p30 -116.11 113.79 23.62 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -165.96 53.28 0.1 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 174.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.7 tttp 76.75 69.02 0.06 Allowed 'General case' 0 C--N 1.372 1.557 0 C-N-CA 129.587 3.155 . . . . 0.0 111.085 -174.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 20.9 mtt -148.64 176.8 10.04 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 124.533 1.133 . . . . 0.0 108.835 -169.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 mpm_? -133.97 134.41 42.48 Favored 'General case' 0 C--N 1.367 1.342 0 N-CA-C 106.175 -1.787 . . . . 0.0 106.175 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.602 HG11 HG23 ' A' ' 102' ' ' ILE . 35.2 m -132.22 146.16 33.54 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 CA-C-O 122.699 1.237 . . . . 0.0 113.617 -176.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.3 mp -105.17 107.45 22.61 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 170.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.454 ' N ' ' CD1' ' A' ' 110' ' ' TYR 0.253 1.3 p90 -112.08 111.54 22.52 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 126.741 2.016 . . . . 0.0 107.459 173.792 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 58.81 31.71 21.51 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 126.939 2.096 . . . . 0.0 116.584 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.42 -2.21 86.34 Favored Glycine 0 C--N 1.359 1.812 0 N-CA-C 116.22 1.248 . . . . 0.0 116.22 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -97.02 140.95 30.78 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 125.739 1.616 . . . . 0.0 108.443 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 12.1 mt -118.68 124.61 73.42 Favored 'Isoleucine or valine' 0 C--N 1.369 1.431 0 CA-C-N 119.366 0.985 . . . . 0.0 109.739 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.404 HG21 ' CE1' ' A' ' 92' ' ' TYR . 9.8 p -131.78 152.1 36.4 Favored 'Isoleucine or valine' 0 C--N 1.36 1.022 0 C-N-CA 125.298 1.439 . . . . 0.0 110.561 177.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.1 t -119.07 135.54 54.59 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 129.04 2.936 . . . . 0.0 106.944 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -171.35 158.8 5.46 Favored 'General case' 0 C--N 1.367 1.354 0 N-CA-C 116.087 1.884 . . . . 0.0 116.087 -172.296 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 tp -120.2 118.45 56.86 Favored 'Isoleucine or valine' 0 C--N 1.37 1.498 0 C-N-CA 125.97 1.708 . . . . 0.0 108.902 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -126.69 174.64 18.07 Favored Glycine 0 C--N 1.363 2.047 0 O-C-N 120.546 -1.346 . . . . 0.0 115.564 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -129.32 128.6 23.22 Favored Pre-proline 0 C--N 1.357 0.896 0 C-N-CA 127.386 2.274 . . . . 0.0 109.282 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -96.43 153.65 1.27 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 123.901 3.068 . . . . 0.0 114.975 -177.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 18.0 t -131.99 126.32 56.43 Favored 'Isoleucine or valine' 0 C--N 1.368 1.381 0 C-N-CA 128.406 2.682 . . . . 0.0 107.758 175.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -102.02 153.85 19.51 Favored 'General case' 0 C--N 1.368 1.401 0 O-C-N 119.843 -1.786 . . . . 0.0 112.657 177.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -93.15 -2.25 55.53 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 128.52 2.728 . . . . 0.0 114.889 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.3 m -24.09 86.96 0.0 OUTLIER 'General case' 0 C--N 1.368 1.386 0 N-CA-C 121.222 3.786 . . . . 0.0 121.222 -177.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.71 -21.77 8.95 Favored Glycine 0 C--N 1.354 1.58 0 N-CA-C 111.711 -0.556 . . . . 0.0 111.711 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 28.7 tp -101.1 -45.27 5.44 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 125.706 1.603 . . . . 0.0 108.319 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -144.83 -168.61 2.97 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 175.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -127.19 17.07 7.19 Favored 'General case' 0 C--N 1.364 1.226 0 CA-C-O 123.737 1.732 . . . . 0.0 109.82 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.8 pp -107.11 140.74 24.27 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 O-C-N 120.093 -1.629 . . . . 0.0 111.087 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 23.6 m -98.73 138.59 35.67 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 125.145 1.378 . . . . 0.0 108.916 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -119.74 122.68 41.96 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.5 mp -123.22 134.39 66.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -119.67 132.78 55.76 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 175.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.53 144.76 13.13 Favored Glycine 0 C--N 1.368 2.328 0 C-N-CA 124.988 1.28 . . . . 0.0 111.277 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -126.91 172.46 10.41 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -101.87 108.1 19.47 Favored 'General case' 0 C--N 1.37 1.491 0 O-C-N 120.53 -1.356 . . . . 0.0 107.774 177.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -171.18 -161.55 0.22 Allowed 'General case' 0 C--N 1.355 0.818 0 N-CA-C 104.447 -2.427 . . . . 0.0 104.447 -176.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -168.93 -179.52 41.07 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 107.015 -2.434 . . . . 0.0 107.015 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -127.91 101.0 6.14 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 118.492 1.146 . . . . 0.0 110.475 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -164.59 168.69 17.92 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 104.734 -2.321 . . . . 0.0 104.734 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 15.6 m -98.1 -13.59 8.03 Favored 'Isoleucine or valine' 0 C--N 1.361 1.104 0 C-N-CA 126.602 1.961 . . . . 0.0 114.534 -176.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 1.77 0 C-N-CA 125.189 1.376 . . . . 0.0 113.041 179.815 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.5 ppp? . . . . . 0 N--CA 1.442 -0.849 0 CA-C-O 121.692 0.758 . . . . 0.0 109.111 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -104.58 92.53 4.33 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.803 1.641 . . . . 0.0 106.913 177.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 86.9 -17.06 0.37 Allowed 'General case' 0 C--N 1.367 1.352 0 C-N-CA 131.491 3.917 . . . . 0.0 112.049 -175.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 84.39 43.44 0.02 OUTLIER 'General case' 0 C--N 1.363 1.176 0 C-N-CA 131.493 3.917 . . . . 0.0 108.413 -173.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -111.82 127.36 55.79 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 126.67 1.988 . . . . 0.0 112.347 -172.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -141.23 93.53 2.59 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -124.03 150.73 44.57 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.1 t -97.15 115.46 36.86 Favored 'Isoleucine or valine' 0 C--N 1.368 1.375 0 CA-C-O 123.515 1.626 . . . . 0.0 108.2 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 pt -117.22 170.56 6.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 O-C-N 120.338 -1.476 . . . . 0.0 109.979 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.7 m -121.38 125.43 46.93 Favored 'General case' 0 C--N 1.373 1.628 0 O-C-N 120.736 -1.227 . . . . 0.0 110.625 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.426 ' CG ' ' CZ ' ' A' ' 66' ' ' PHE . 75.1 m-85 -105.34 130.89 53.35 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 125.964 1.706 . . . . 0.0 110.873 179.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -131.81 146.33 52.08 Favored 'General case' 0 C--N 1.373 1.594 0 C-N-CA 125.912 1.685 . . . . 0.0 110.579 -176.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.4 p -126.36 157.78 37.59 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 120.534 -1.354 . . . . 0.0 112.981 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -107.23 118.72 37.45 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 129.711 3.204 . . . . 0.0 104.47 176.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.9 p -144.78 155.09 14.34 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 O-C-N 120.758 -1.214 . . . . 0.0 110.98 -168.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -87.39 -26.74 23.17 Favored 'General case' 0 C--N 1.367 1.351 0 N-CA-C 114.673 1.361 . . . . 0.0 114.673 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.21 -55.08 0.51 Allowed 'General case' 0 C--N 1.361 1.065 0 C-N-CA 127.327 2.251 . . . . 0.0 116.892 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . 0.268 10.7 t 106.94 13.32 0.0 OUTLIER 'General case' 0 C--N 1.368 1.398 0 C-N-CA 130.859 3.664 . . . . 0.0 111.9 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.1 p-10 -149.03 62.02 1.05 Allowed 'General case' 0 C--N 1.353 0.737 0 C-N-CA 123.787 0.835 . . . . 0.0 111.244 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -140.65 65.64 0.51 Allowed Glycine 0 C--N 1.358 1.783 0 N-CA-C 107.87 -2.092 . . . . 0.0 107.87 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 81.91 -40.12 0.12 Allowed 'General case' 0 C--N 1.365 1.255 0 C-N-CA 128.441 2.696 . . . . 0.0 113.304 -176.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -153.0 -146.52 4.38 Favored Glycine 0 C--N 1.35 1.359 0 N-CA-C 103.727 -3.749 . . . . 0.0 103.727 172.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -139.26 28.5 2.58 Favored Glycine 0 C--N 1.358 1.796 0 CA-C-N 118.898 1.349 . . . . 0.0 111.971 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -124.51 52.2 1.54 Allowed 'General case' 0 C--N 1.359 0.99 0 C-N-CA 125.546 1.538 . . . . 0.0 108.669 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.0 t -153.98 149.22 27.01 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 104.602 -2.37 . . . . 0.0 104.602 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -113.91 127.9 56.17 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 124.759 1.223 . . . . 0.0 111.165 -176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -120.95 142.75 49.45 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.226 1.811 . . . . 0.0 109.648 -175.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -91.23 131.34 36.82 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.687 1.995 . . . . 0.0 111.606 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.2 p -143.4 164.29 15.7 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.37 146.44 26.46 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 125.855 1.662 . . . . 0.0 107.867 173.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -100.8 -61.65 1.34 Allowed 'General case' 0 C--N 1.354 0.78 0 CA-C-O 122.623 1.202 . . . . 0.0 110.05 -174.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.426 ' CZ ' ' CG ' ' A' ' 45' ' ' PHE . 5.4 p90 -162.93 174.53 12.23 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 104.878 -2.268 . . . . 0.0 104.878 -177.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -135.88 133.23 37.52 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 101.752 -3.425 . . . . 0.0 101.752 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.72 164.84 33.18 Favored 'General case' 0 CA--C 1.498 -1.055 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.98 114.53 20.62 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 123.947 1.832 . . . . 0.0 106.529 170.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -158.12 166.83 31.49 Favored 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 114.185 -1.371 . . . . 0.0 107.727 -172.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -128.22 107.53 9.86 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 101.758 -3.423 . . . . 0.0 101.758 171.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.41 ' HA ' HG23 ' A' ' 94' ' ' ILE . 9.1 t -110.33 103.24 15.18 Favored 'Isoleucine or valine' 0 C--N 1.373 1.614 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -138.61 152.77 71.54 Favored Pre-proline 0 C--N 1.361 1.106 0 O-C-N 118.806 -2.434 . . . . 0.0 111.938 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -71.61 150.03 56.29 Favored 'Trans proline' 0 C--N 1.364 1.381 0 C-N-CA 124.996 3.797 . . . . 0.0 113.937 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.6 tt -92.69 63.62 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.174 0 CA-C-O 125.471 2.557 . . . . 0.0 110.337 175.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.7 p -79.0 81.35 5.28 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 128.978 2.911 . . . . 0.0 111.776 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -127.23 -116.34 0.27 Allowed 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 -177.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -80.63 -46.17 16.09 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.739 1.616 . . . . 0.0 112.55 177.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 77.47 74.87 0.07 Allowed 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.348 2.659 . . . . 0.0 109.645 -176.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -71.95 -12.38 61.22 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 117.971 2.582 . . . . 0.0 117.971 -170.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.0 t80 97.76 174.61 0.01 OUTLIER 'General case' 0 C--N 1.362 1.145 0 C-N-CA 130.045 3.338 . . . . 0.0 109.477 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -161.68 151.81 17.11 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 103.263 -2.865 . . . . 0.0 103.263 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.87 29.73 0.09 Allowed 'General case' 0 C--N 1.361 1.081 0 C-N-CA 127.741 2.417 . . . . 0.0 117.246 -176.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -116.08 130.46 56.82 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.739 2.016 . . . . 0.0 108.872 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -112.99 27.88 9.26 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 127.09 2.156 . . . . 0.0 109.627 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.8 tp -154.97 83.03 1.08 Allowed 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.958 1.303 . . . . 0.0 107.903 -176.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -161.72 179.4 8.16 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.8 p -96.76 141.35 22.95 Favored Pre-proline 0 C--N 1.358 0.939 0 C-N-CA 128.437 2.695 . . . . 0.0 107.354 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.62 123.48 7.0 Favored 'Trans proline' 0 C--N 1.358 1.061 0 CA-C-N 125.212 2.897 . . . . 0.0 110.72 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . 0.288 55.2 mt 86.88 114.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.366 1.326 0 C-N-CA 129.239 3.016 . . . . 0.0 107.841 -170.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -93.01 176.44 37.52 Favored Glycine 0 C--N 1.358 1.776 0 O-C-N 119.683 -1.886 . . . . 0.0 111.988 176.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.277 6.2 m-85 -106.09 157.22 17.7 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-O 125.32 2.486 . . . . 0.0 109.555 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER -127.35 118.06 23.42 Favored 'General case' 0 N--CA 1.441 -0.899 1 N-CA-C 99.581 -4.229 . . . . 0.0 99.581 176.475 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.41 HG23 ' HA ' ' A' ' 72' ' ' VAL . 9.1 mt -147.09 142.23 20.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 O-C-N 121.101 -0.999 . . . . 0.0 110.947 -169.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.14 139.2 52.03 Favored 'General case' 0 C--N 1.368 1.396 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 169.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.1 t -139.99 142.25 29.91 Favored Pre-proline 0 C--N 1.368 1.406 0 N-CA-C 103.127 -2.916 . . . . 0.0 103.127 162.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -61.06 126.85 20.54 Favored 'Trans proline' 0 C--N 1.369 1.62 1 C-N-CA 125.337 4.025 . . . . 0.0 112.052 176.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.364 0.7 OUTLIER 28.32 16.56 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.664 2 C-N-CA 135.826 5.651 . . . . 0.0 122.432 -174.338 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -103.34 131.26 50.55 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 119.98 -1.7 . . . . 0.0 110.281 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -99.8 31.81 3.11 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 127.185 2.194 . . . . 0.0 112.438 -175.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -103.14 -47.58 4.29 Favored 'General case' 0 C--N 1.356 0.888 0 N-CA-C 118.071 2.619 . . . . 0.0 118.071 -176.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.43 HG12 ' H ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -9.31 -67.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.388 2.251 1 C-N-CA 133.058 4.543 . . . . 0.0 120.614 178.641 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.43 ' H ' HG12 ' A' ' 102' ' ' ILE . 55.5 t0 -135.22 111.4 9.63 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 100.769 -3.789 . . . . 0.0 100.769 170.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -147.95 -83.9 0.11 Allowed 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 101.557 -3.498 . . . . 0.0 101.557 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -142.49 90.24 2.21 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 100.372 -3.936 . . . . 0.0 100.372 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.8 ttm -158.76 170.78 21.38 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 120.527 -1.358 . . . . 0.0 111.455 -169.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -128.85 134.51 48.34 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.8 m -134.84 151.21 30.88 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 O-C-N 120.487 -1.383 . . . . 0.0 109.075 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.4 pt -112.19 107.8 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 101.863 -3.384 . . . . 0.0 101.863 166.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -96.6 107.16 19.55 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 130.596 3.558 . . . . 0.0 103.855 173.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 46.29 32.73 1.59 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 128.818 2.847 . . . . 0.0 118.468 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.63 8.47 62.26 Favored Glycine 0 C--N 1.364 2.124 0 C-N-CA 126.059 1.79 . . . . 0.0 116.065 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -110.81 124.3 51.76 Favored 'General case' 0 C--N 1.361 1.07 0 CA-C-N 119.597 1.698 . . . . 0.0 108.028 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.3 tt -92.54 127.72 44.54 Favored 'Isoleucine or valine' 0 C--N 1.363 1.189 0 CA-C-O 123.38 1.562 . . . . 0.0 113.86 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.7 t -128.66 137.62 56.83 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 C-N-CA 127.447 2.299 . . . . 0.0 108.665 -175.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.1 t -123.88 126.53 46.56 Favored 'General case' 0 C--N 1.368 1.374 0 N-CA-C 104.909 -2.256 . . . . 0.0 104.909 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.83 155.16 11.98 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-O 122.941 1.353 . . . . 0.0 114.572 -171.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 10.9 tt -117.48 135.17 58.73 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 C-N-CA 127.468 2.307 . . . . 0.0 108.694 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -156.99 -169.77 21.23 Favored Glycine 0 C--N 1.36 1.897 0 O-C-N 120.291 -1.506 . . . . 0.0 112.076 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -151.6 96.72 3.15 Favored Pre-proline 0 C--N 1.362 1.126 0 C-N-CA 126.406 1.882 . . . . 0.0 111.718 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -72.69 146.82 44.0 Favored 'Trans proline' 0 CA--C 1.547 1.138 1 C-N-CA 125.66 4.24 . . . . 0.0 116.336 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.4 p -132.78 148.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 C-N-CA 125.774 1.63 . . . . 0.0 113.14 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -94.79 99.77 11.78 Favored 'General case' 0 C--N 1.367 1.357 0 O-C-N 120.006 -1.684 . . . . 0.0 108.074 172.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 31.3 tp -63.79 -11.29 25.53 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 129.569 3.148 . . . . 0.0 117.963 -173.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.3 p 173.52 -45.32 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 126.679 1.992 . . . . 0.0 107.593 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.86 -68.74 0.52 Allowed Glycine 0 CA--C 1.489 -1.533 0 N-CA-C 106.667 -2.573 . . . . 0.0 106.667 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . 0.257 0.1 OUTLIER 70.76 -92.11 0.03 OUTLIER 'General case' 0 C--N 1.358 0.963 0 C-N-CA 128.655 2.782 . . . . 0.0 113.501 177.305 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -118.94 23.72 11.24 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 126.363 1.865 . . . . 0.0 108.482 173.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 80.55 56.67 0.02 OUTLIER 'General case' 0 C--N 1.358 0.936 0 C-N-CA 129.023 2.929 . . . . 0.0 112.211 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 15.1 pt -100.7 131.53 48.12 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 C-N-CA 124.472 1.109 . . . . 0.0 113.218 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.3 m -110.41 119.47 39.31 Favored 'General case' 0 C--N 1.364 1.233 0 N-CA-C 104.445 -2.428 . . . . 0.0 104.445 170.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -123.97 138.08 54.52 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 125.464 1.506 . . . . 0.0 111.056 -172.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.13 120.38 64.71 Favored 'Isoleucine or valine' 0 C--N 1.356 0.879 0 N-CA-C 106.341 -1.725 . . . . 0.0 106.341 171.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -128.82 110.45 12.15 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 125.127 1.371 . . . . 0.0 108.06 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.99 142.96 10.8 Favored Glycine 0 C--N 1.358 1.754 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -144.27 126.93 16.11 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 175.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -131.34 132.79 44.73 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 124.431 1.092 . . . . 0.0 111.772 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.8 t70 53.2 -85.38 0.01 OUTLIER 'General case' 0 C--N 1.368 1.397 0 C-N-CA 128.667 2.787 . . . . 0.0 118.067 173.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 104.77 -66.0 0.29 Allowed Glycine 0 C--N 1.354 1.561 0 C-N-CA 125.977 1.751 . . . . 0.0 115.574 173.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . 82.17 -62.72 0.15 Allowed 'General case' 0 C--N 1.357 0.895 0 C-N-CA 128.324 2.65 . . . . 0.0 111.357 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -103.23 137.87 40.79 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 171.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 11.1 m -77.93 -36.05 21.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -173.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 1.855 0 C-N-CA 124.77 1.176 . . . . 0.0 113.345 -178.359 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.2 mtp . . . . . 0 N--CA 1.441 -0.908 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -104.82 125.84 51.28 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 126.853 2.061 . . . . 0.0 110.236 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -76.25 61.91 1.69 Allowed 'General case' 0 C--N 1.361 1.085 0 C-N-CA 127.486 2.314 . . . . 0.0 114.594 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 68.96 -53.45 0.57 Allowed 'General case' 0 C--N 1.366 1.292 0 C-N-CA 128.549 2.739 . . . . 0.0 115.166 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -159.96 130.29 5.54 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 175.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -156.14 99.01 1.91 Allowed 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 106.232 -1.766 . . . . 0.0 106.232 172.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -114.13 159.15 20.38 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 120.101 -1.625 . . . . 0.0 107.21 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -96.51 114.7 34.0 Favored 'Isoleucine or valine' 0 C--N 1.37 1.482 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 70' ' ' ALA . 33.6 mt -107.3 156.3 7.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 128.662 2.785 . . . . 0.0 109.865 -170.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.5 m -120.8 111.23 17.3 Favored 'General case' 0 C--N 1.37 1.474 0 O-C-N 121.133 -0.979 . . . . 0.0 109.381 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 82.9 m-85 -107.48 132.75 52.88 Favored 'General case' 0 C--N 1.363 1.153 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -178.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.05 159.86 27.56 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 126.756 2.022 . . . . 0.0 108.849 171.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.3 t -121.14 148.77 43.75 Favored 'General case' 0 C--N 1.374 1.642 0 C-N-CA 128.118 2.567 . . . . 0.0 112.86 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -119.2 119.0 32.82 Favored 'General case' 0 C--N 1.359 1.021 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 t -110.08 117.78 55.5 Favored 'Isoleucine or valine' 0 C--N 1.361 1.092 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 176.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -131.52 127.47 37.31 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 104.697 -2.335 . . . . 0.0 104.697 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -169.33 157.31 7.4 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -173.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 t -100.72 136.94 39.79 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 125.583 1.553 . . . . 0.0 109.043 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -117.85 33.36 5.67 Favored 'General case' 0 C--N 1.361 1.095 0 CA-C-O 122.035 0.922 . . . . 0.0 110.642 -172.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.88 -47.58 1.01 Allowed Glycine 0 C--N 1.358 1.753 0 C-N-CA 126.593 2.044 . . . . 0.0 110.034 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -161.29 179.14 8.57 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 103.93 -2.619 . . . . 0.0 103.93 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.96 -66.44 0.52 Allowed Glycine 0 C--N 1.365 2.156 0 C-N-CA 124.736 1.16 . . . . 0.0 111.333 177.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.51 -72.1 2.56 Favored Glycine 0 C--N 1.358 1.774 0 O-C-N 121.28 -1.129 . . . . 0.0 114.003 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -96.76 62.45 1.93 Allowed 'General case' 0 C--N 1.355 0.813 0 C-N-CA 125.665 1.586 . . . . 0.0 112.939 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.8 t -129.97 113.63 14.83 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 104.956 -2.238 . . . . 0.0 104.956 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -135.17 166.13 23.8 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 125.136 1.375 . . . . 0.0 110.263 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -136.84 134.02 36.48 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 126.55 1.94 . . . . 0.0 109.466 173.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -107.94 122.86 47.69 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 129.437 3.095 . . . . 0.0 107.215 175.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -129.03 166.9 25.48 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 O-C-N 120.949 -1.094 . . . . 0.0 108.174 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -97.69 135.4 39.54 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 125.766 1.626 . . . . 0.0 107.155 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -98.19 -68.29 0.81 Allowed 'General case' 0 C--N 1.365 1.259 0 O-C-N 121.121 -0.987 . . . . 0.0 112.7 -173.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.424 ' CZ ' ' CD1' ' A' ' 45' ' ' PHE . 6.7 p90 -164.91 175.16 9.8 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -177.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 t -136.99 132.96 35.05 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 102.732 -3.062 . . . . 0.0 102.732 170.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.15 165.06 37.04 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.36 121.94 26.84 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.308 1.843 . . . . 0.0 109.386 177.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.488 ' HB3' HD12 ' A' ' 43' ' ' ILE . . . -169.01 171.88 7.93 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 122.803 1.287 . . . . 0.0 112.912 -162.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -129.58 122.06 28.37 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 165.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.416 ' HA ' HG12 ' A' ' 94' ' ' ILE . 10.6 t -107.72 102.11 13.49 Favored 'Isoleucine or valine' 0 C--N 1.374 1.652 0 N-CA-C 102.661 -3.088 . . . . 0.0 102.661 171.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -113.79 138.77 22.86 Favored Pre-proline 0 C--N 1.357 0.898 0 O-C-N 119.597 -1.939 . . . . 0.0 112.3 -172.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -71.61 155.89 58.42 Favored 'Trans proline' 0 CA--C 1.551 1.338 0 CA-C-N 126.359 3.307 . . . . 0.0 114.099 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.3 pt -65.38 64.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.379 1.887 0 C-N-CA 127.838 2.455 . . . . 0.0 112.963 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.0 m -55.93 96.61 0.02 OUTLIER 'General case' 0 C--N 1.348 0.506 1 C-N-CA 133.67 4.788 . . . . 0.0 117.29 -173.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -95.2 169.34 10.16 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 127.508 2.323 . . . . 0.0 111.621 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -100.01 7.83 44.45 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 126.123 1.769 . . . . 0.0 114.285 -173.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . 0.396 7.7 pt-20 64.87 -42.56 0.31 Allowed 'General case' 0 C--N 1.358 0.946 0 C-N-CA 130.355 3.462 . . . . 0.0 118.897 178.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -69.95 -13.08 62.07 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 128.913 2.885 . . . . 0.0 116.187 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . 0.261 48.1 p90 -131.22 150.33 52.19 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 174.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 79.97 30.88 0.24 Allowed 'General case' 0 C--N 1.363 1.158 0 C-N-CA 127.855 2.462 . . . . 0.0 111.266 -172.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.21 22.57 12.19 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 126.152 1.781 . . . . 0.0 111.381 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -96.7 48.37 1.07 Allowed 'General case' 0 C--N 1.355 0.83 0 C-N-CA 128.523 2.729 . . . . 0.0 111.095 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -166.49 171.66 11.62 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 -175.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.8 mt -125.43 54.16 1.49 Allowed 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 174.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -165.46 173.8 10.65 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 -174.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.6 t -126.81 142.17 42.62 Favored Pre-proline 0 C--N 1.363 1.174 0 N-CA-C 104.517 -2.401 . . . . 0.0 104.517 172.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -79.11 142.11 16.89 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.742 2.295 . . . . 0.0 108.074 162.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.0 tp -132.95 146.21 32.96 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.794 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 136' ' ' LYS . . . 174.12 179.67 44.89 Favored Glycine 0 CA--C 1.482 -2.023 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -132.82 154.16 50.58 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 123.696 1.712 . . . . 0.0 109.341 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.481 HD21 ' HE ' ' A' ' 132' ' ' ARG . 1.3 t-20 -127.58 118.89 24.79 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 103.258 -2.867 . . . . 0.0 103.258 173.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.416 HG12 ' HA ' ' A' ' 72' ' ' VAL . 28.4 mt -133.53 145.7 33.22 Favored 'Isoleucine or valine' 0 C--N 1.348 0.539 0 O-C-N 120.971 -1.081 . . . . 0.0 110.463 -170.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.76 129.36 50.31 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 104.584 -2.376 . . . . 0.0 104.584 171.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.1 m -140.84 145.37 39.41 Favored Pre-proline 0 C--N 1.352 0.679 0 N-CA-C 104.435 -2.432 . . . . 0.0 104.435 172.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -73.6 140.14 29.24 Favored 'Trans proline' 0 C--N 1.363 1.32 0 C-N-CA 124.915 3.743 . . . . 0.0 112.04 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.381 1.5 t80 31.69 -1.78 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.061 2 C-N-CA 136.032 5.733 . . . . 0.0 123.523 -177.16 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -103.45 106.52 17.05 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 129.412 3.085 . . . . 0.0 111.615 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -87.81 48.2 1.61 Allowed 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.358 2.263 . . . . 0.0 111.386 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.405 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 85.8 mmt-85 -102.09 -49.46 3.92 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 128.863 2.865 . . . . 0.0 112.916 -173.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.497 HD12 HG22 ' A' ' 133' ' ' ILE . 0.8 OUTLIER 8.7 -82.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.377 1.799 1 C-N-CA 132.312 4.245 . . . . 0.0 120.856 167.998 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.407 ' H ' HG13 ' A' ' 102' ' ' ILE . 56.1 t0 -122.94 111.61 16.83 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 127.339 2.256 . . . . 0.0 105.858 170.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -175.27 43.4 0.01 OUTLIER 'General case' 0 C--N 1.365 1.24 0 C-N-CA 126.518 1.927 . . . . 0.0 107.698 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 81.55 56.61 0.02 OUTLIER 'General case' 0 C--N 1.372 1.555 0 C-N-CA 128.496 2.719 . . . . 0.0 108.395 -170.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.09 158.51 36.82 Favored 'General case' 0 C--N 1.364 1.232 0 CA-C-O 124.527 2.108 . . . . 0.0 111.031 -171.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -123.9 129.98 51.85 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 101.555 -3.498 . . . . 0.0 101.555 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.5 p -131.32 143.71 39.82 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 CA-C-O 122.599 1.19 . . . . 0.0 109.357 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.05 105.65 19.02 Favored 'Isoleucine or valine' 0 C--N 1.369 1.432 0 N-CA-C 101.118 -3.66 . . . . 0.0 101.118 166.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -99.55 90.45 4.51 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 128.582 2.753 . . . . 0.0 105.947 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 60.51 33.08 20.58 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.84 8.47 61.92 Favored Glycine 0 C--N 1.364 2.119 0 C-N-CA 126.042 1.782 . . . . 0.0 115.535 -174.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -108.19 120.05 41.25 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 125.83 1.652 . . . . 0.0 109.431 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.4 pt -97.55 113.81 33.03 Favored 'Isoleucine or valine' 0 C--N 1.365 1.267 0 C-N-CA 125.624 1.57 . . . . 0.0 114.217 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 26.7 m -131.18 149.5 33.43 Favored 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 126.044 1.738 . . . . 0.0 110.095 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 t -121.68 139.91 52.96 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 127.297 2.239 . . . . 0.0 106.95 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.5 153.53 11.18 Favored 'General case' 0 C--N 1.362 1.128 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -173.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.2 mt -114.49 121.43 66.58 Favored 'Isoleucine or valine' 0 C--N 1.377 1.762 0 C-N-CA 125.803 1.641 . . . . 0.0 106.691 174.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -136.88 178.74 18.66 Favored Glycine 0 C--N 1.363 2.081 0 O-C-N 120.617 -1.302 . . . . 0.0 112.228 -176.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -123.91 97.21 41.47 Favored Pre-proline 0 C--N 1.361 1.068 0 C-N-CA 125.818 1.647 . . . . 0.0 108.339 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -88.05 155.68 7.09 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 124.271 3.314 . . . . 0.0 112.927 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 17.4 t -127.7 129.61 70.14 Favored 'Isoleucine or valine' 0 C--N 1.361 1.069 0 C-N-CA 126.286 1.835 . . . . 0.0 111.049 -176.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -101.68 134.55 44.65 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.643 2.377 . . . . 0.0 108.896 172.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.52 -28.49 17.55 Favored 'General case' 0 C--N 1.361 1.083 0 O-C-N 120.675 -1.266 . . . . 0.0 112.617 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 94.2 p 64.43 36.49 8.86 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 120.255 3.428 . . . . 0.0 120.255 172.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -177.16 -95.68 0.1 OUTLIER Glycine 0 CA--C 1.484 -1.876 0 O-C-N 118.519 -2.613 . . . . 0.0 112.608 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 71.1 mt -83.74 59.6 5.27 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.542 1.537 . . . . 0.0 112.162 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.5 ' HG2' ' H ' ' A' ' 130' ' ' ILE . 48.5 tt0 144.55 125.78 0.0 OUTLIER 'General case' 0 C--N 1.358 0.969 0 C-N-CA 131.277 3.831 . . . . 0.0 106.273 -176.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -106.58 29.44 6.92 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 124.912 1.285 . . . . 0.0 112.436 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.5 ' H ' ' HG2' ' A' ' 128' ' ' GLN . 88.7 mt -101.31 127.18 54.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 120.565 -1.335 . . . . 0.0 108.935 176.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.32 121.56 41.25 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 127.874 2.47 . . . . 0.0 106.771 174.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.481 ' HE ' HD21 ' A' ' 93' ' ' ASN . 81.6 ttt180 -124.38 138.62 54.35 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 125.504 1.522 . . . . 0.0 111.248 -173.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.497 HG22 HD12 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -114.19 133.38 60.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 169.433 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -128.13 107.84 10.14 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 101.125 -3.657 . . . . 0.0 101.125 172.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -147.2 161.29 28.45 Favored Glycine 0 C--N 1.361 1.924 0 CA-C-O 121.639 0.577 . . . . 0.0 112.337 -173.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.464 ' HA ' ' HA3' ' A' ' 91' ' ' GLY . 61.2 pttt -154.28 157.17 38.29 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 124.18 0.992 . . . . 0.0 109.298 175.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -129.07 142.08 51.01 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.719 2.408 . . . . 0.0 107.952 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -153.78 163.47 39.97 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -108.85 41.75 2.14 Favored Glycine 0 C--N 1.362 2.026 0 C-N-CA 125.096 1.331 . . . . 0.0 112.996 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -118.81 33.02 5.83 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 125.15 1.38 . . . . 0.0 111.9 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -126.03 44.81 2.76 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 123.65 1.69 . . . . 0.0 106.613 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 27.2 m -101.6 18.39 3.53 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 C-N-CA 127.288 2.235 . . . . 0.0 112.647 -176.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.494 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 178.364 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.437 -1.104 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -80.79 62.06 4.68 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 126.747 2.019 . . . . 0.0 114.699 -177.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -102.63 87.59 3.02 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 126.755 2.022 . . . . 0.0 106.846 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -81.01 13.77 2.57 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 117.209 2.299 . . . . 0.0 117.209 -173.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -165.03 172.98 12.03 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 104.098 -2.556 . . . . 0.0 104.098 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -78.02 -21.59 50.55 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 128.714 2.806 . . . . 0.0 114.698 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.409 ' HB2' HH21 ' A' ' 111' ' ' ARG . 2.5 t70 -122.87 143.57 49.78 Favored 'General case' 0 C--N 1.367 1.338 0 O-C-N 120.16 -1.588 . . . . 0.0 112.06 177.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.0 t -97.86 116.17 39.76 Favored 'Isoleucine or valine' 0 C--N 1.37 1.468 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.0 mm -101.59 153.07 5.12 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 C-N-CA 127.279 2.231 . . . . 0.0 110.916 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.0 m -113.65 114.91 27.07 Favored 'General case' 0 C--N 1.375 1.676 0 O-C-N 121.236 -0.915 . . . . 0.0 108.732 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.458 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 97.6 m-85 -105.74 123.62 48.23 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 123.742 0.817 . . . . 0.0 110.118 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -131.01 146.36 52.36 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.022 1.729 . . . . 0.0 109.746 -176.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.4 p -117.43 168.77 10.07 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.943 1.697 . . . . 0.0 112.044 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -118.96 123.54 44.82 Favored 'General case' 0 C--N 1.359 0.979 0 N-CA-C 104.417 -2.438 . . . . 0.0 104.417 173.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.3 t -110.1 135.13 50.06 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 C-N-CA 125.695 1.598 . . . . 0.0 108.768 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -111.92 144.89 40.5 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.296 1.838 . . . . 0.0 111.475 -178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -100.59 15.5 27.87 Favored 'General case' 0 C--N 1.378 1.812 0 C-N-CA 125.914 1.686 . . . . 0.0 110.832 173.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . 0.345 86.0 p 107.06 -146.2 0.0 OUTLIER 'General case' 0 C--N 1.353 0.74 1 C-N-CA 131.777 4.031 . . . . 0.0 111.3 179.186 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.97 51.4 1.61 Allowed 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.157 1.383 . . . . 0.0 108.404 -179.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.75 -152.88 19.76 Favored Glycine 0 C--N 1.359 1.824 0 O-C-N 121.457 -0.777 . . . . 0.0 111.418 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 60.48 -65.06 0.06 Allowed 'General case' 0 C--N 1.36 1.058 0 C-N-CA 129.37 3.068 . . . . 0.0 118.602 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -153.32 21.97 0.75 Allowed Glycine 0 C--N 1.351 1.403 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.05 99.59 0.18 Allowed Glycine 0 C--N 1.353 1.509 0 CA-C-O 122.376 0.987 . . . . 0.0 112.389 -178.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -129.92 64.89 1.51 Allowed 'General case' 0 C--N 1.351 0.638 0 N-CA-C 105.456 -2.054 . . . . 0.0 105.456 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 66.4 m -154.85 137.56 15.25 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 104.327 -2.472 . . . . 0.0 104.327 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -134.26 149.67 50.95 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 -174.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.6 143.73 30.05 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-O 121.984 0.897 . . . . 0.0 112.88 -175.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -103.21 122.03 43.91 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 129.083 2.953 . . . . 0.0 107.632 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.9 p -138.93 168.38 19.22 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 C-N-CA 125.335 1.454 . . . . 0.0 108.934 -173.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -89.56 146.09 24.82 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.004 1.722 . . . . 0.0 108.451 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -97.21 -56.56 2.5 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 124.564 1.146 . . . . 0.0 108.554 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.458 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 9.6 p90 -164.89 173.9 11.16 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.2 p -134.17 132.25 39.58 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 102.478 -3.156 . . . . 0.0 102.478 174.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.46 164.24 37.64 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -176.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.61 115.15 21.45 Favored 'General case' 0 C--N 1.366 1.299 0 O-C-N 120.28 -1.512 . . . . 0.0 107.782 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.71 145.15 4.42 Favored 'General case' 0 CA--C 1.497 -1.067 0 C-N-CA 119.169 -1.012 . . . . 0.0 108.309 -164.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 -111.26 112.16 23.74 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 120.613 1.551 . . . . 0.0 108.792 172.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.8 t -95.74 127.19 47.99 Favored 'Isoleucine or valine' 0 C--N 1.375 1.714 1 N-CA-C 98.893 -4.484 . . . . 0.0 98.893 169.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -132.73 128.4 20.84 Favored Pre-proline 0 C--N 1.353 0.758 0 CA-C-O 115.583 -2.151 . . . . 0.0 109.818 -173.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -71.47 140.06 35.74 Favored 'Trans proline' 0 C--N 1.363 1.331 0 C-N-CA 125.201 3.934 . . . . 0.0 112.845 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.438 10.9 tt 56.44 -48.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.2 0 C-N-CA 129.569 3.147 . . . . 0.0 118.223 178.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.3 t 75.02 26.09 1.29 Allowed 'General case' 0 C--N 1.373 1.624 0 C-N-CA 128.136 2.575 . . . . 0.0 113.167 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -75.65 78.9 2.63 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 128.231 2.612 . . . . 0.0 117.875 -172.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -100.25 -59.87 1.63 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 170.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -153.02 65.87 0.78 Allowed 'General case' 0 C--N 1.352 0.707 0 N-CA-C 103.442 -2.799 . . . . 0.0 103.442 175.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -96.78 -68.05 0.82 Allowed 'General case' 0 C--N 1.36 1.036 0 O-C-N 120.836 -1.165 . . . . 0.0 111.106 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -147.22 172.56 13.63 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 103.801 -2.666 . . . . 0.0 103.801 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -87.15 66.39 9.27 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 126.719 2.008 . . . . 0.0 108.725 172.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.94 13.27 27.46 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 129.278 3.031 . . . . 0.0 113.06 -174.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -62.91 69.34 0.02 OUTLIER 'General case' 0 C--N 1.358 0.95 0 C-N-CA 129.558 3.143 . . . . 0.0 116.797 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 89.18 29.84 0.02 OUTLIER 'General case' 0 C--N 1.363 1.194 0 C-N-CA 130.112 3.365 . . . . 0.0 110.342 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.9 tp -79.91 -26.77 40.07 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 127.051 2.14 . . . . 0.0 113.908 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -154.19 -172.45 4.22 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.9 m -94.92 109.86 46.53 Favored Pre-proline 0 C--N 1.355 0.836 0 C-N-CA 129.143 2.977 . . . . 0.0 105.271 169.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -70.88 128.6 15.21 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 CA-C-N 125.355 2.948 . . . . 0.0 115.95 -173.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.1 tp -146.38 39.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 103.309 -2.848 . . . . 0.0 103.309 173.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -122.89 141.19 13.73 Favored Glycine 0 C--N 1.36 1.906 0 CA-C-O 123.084 1.38 . . . . 0.0 111.191 -174.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -127.74 142.66 51.26 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 125.125 1.37 . . . . 0.0 109.189 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -138.1 123.89 19.93 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 103.524 -2.769 . . . . 0.0 103.524 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.25 148.38 30.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 C-N-CA 125.634 1.574 . . . . 0.0 113.483 -165.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.82 113.82 21.18 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 103.552 -2.759 . . . . 0.0 103.552 169.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.6 m -140.49 148.95 55.64 Favored Pre-proline 0 C--N 1.361 1.085 0 O-C-N 118.816 -2.427 . . . . 0.0 109.369 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -70.54 133.37 23.98 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 124.794 3.663 . . . . 0.0 111.676 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.27 2.7 t80 10.45 18.08 0.0 OUTLIER 'General case' 0 C--N 1.366 1.296 2 C-N-CA 137.324 6.25 . . . . 0.0 122.961 -176.09 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -95.47 137.7 34.17 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 128.585 2.754 . . . . 0.0 110.363 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -119.26 23.75 11.12 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 127.201 2.2 . . . . 0.0 111.495 -175.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -99.24 -43.91 6.44 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.827 ' H ' HD12 ' A' ' 102' ' ' ILE . 2.2 mp -12.51 -70.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.381 1.977 1 C-N-CA 136.058 5.743 . . . . 0.0 116.301 -179.483 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . 0.304 52.8 p30 -133.21 113.53 12.77 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 122.024 0.916 . . . . 0.0 108.851 167.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -169.04 43.57 0.03 OUTLIER 'General case' 0 C--N 1.355 0.839 0 N-CA-C 103.237 -2.875 . . . . 0.0 103.237 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? 84.1 82.81 0.03 OUTLIER 'General case' 0 C--N 1.371 1.543 0 C-N-CA 128.928 2.891 . . . . 0.0 109.663 -174.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 39.0 tpp -158.44 165.96 33.37 Favored 'General case' 0 C--N 1.36 1.057 0 O-C-N 120.825 -1.172 . . . . 0.0 108.262 -169.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -118.04 148.25 42.44 Favored 'General case' 0 C--N 1.366 1.32 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 167.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.5 p -138.94 150.13 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.1 tt -120.94 106.51 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.073 1 N-CA-C 100.152 -4.018 . . . . 0.0 100.152 164.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . 0.426 11.2 p90 -108.04 101.43 10.67 Favored 'General case' 0 C--N 1.373 1.627 0 C-N-CA 124.565 1.146 . . . . 0.0 110.829 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.409 HH21 ' HB2' ' A' ' 41' ' ' ASP . 27.7 ttm180 60.51 32.1 20.41 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 126.25 1.82 . . . . 0.0 114.698 -176.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.13 12.97 58.21 Favored Glycine 0 C--N 1.363 2.082 0 C-N-CA 125.547 1.546 . . . . 0.0 116.806 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -107.76 109.5 21.09 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 119.7 1.75 . . . . 0.0 109.361 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.8 mp -90.79 109.03 20.43 Favored 'Isoleucine or valine' 0 C--N 1.37 1.477 0 C-N-CA 125.394 1.478 . . . . 0.0 110.705 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.41 149.97 33.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 C-N-CA 125.33 1.452 . . . . 0.0 109.736 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -113.68 131.45 56.15 Favored 'General case' 0 C--N 1.363 1.186 0 N-CA-C 103.14 -2.911 . . . . 0.0 103.14 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -156.59 166.16 34.19 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -170.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 22.7 pt -133.06 162.8 39.4 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 C-N-CA 126.315 1.846 . . . . 0.0 109.101 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 179.36 -166.97 36.71 Favored Glycine 0 C--N 1.363 2.045 0 O-C-N 121.662 -0.649 . . . . 0.0 113.416 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -146.55 138.09 13.17 Favored Pre-proline 0 C--N 1.369 1.446 0 C-N-CA 126.276 1.83 . . . . 0.0 112.144 178.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -103.57 144.56 0.16 Allowed 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 124.781 3.654 . . . . 0.0 114.289 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 97.7 t -132.84 139.06 50.53 Favored 'Isoleucine or valine' 0 C--N 1.364 1.223 0 N-CA-C 105.834 -1.914 . . . . 0.0 105.834 174.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -94.41 98.97 11.25 Favored 'General case' 0 C--N 1.368 1.373 0 O-C-N 120.073 -1.642 . . . . 0.0 110.536 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.87 -27.81 16.2 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 126.57 1.948 . . . . 0.0 115.237 -176.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 36.9 m -106.95 122.19 45.94 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 119.452 -2.03 . . . . 0.0 112.598 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -116.26 1.44 20.76 Favored Glycine 0 C--N 1.365 2.165 0 C-N-CA 126.613 2.054 . . . . 0.0 112.189 172.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.24 -19.73 29.52 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 127.822 2.449 . . . . 0.0 111.769 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -164.32 153.81 13.88 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 100.553 -3.869 . . . . 0.0 100.553 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -78.94 59.71 2.7 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 126.73 2.012 . . . . 0.0 115.686 -171.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 47.6 mm -106.0 131.82 54.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 O-C-N 121.099 -1.001 . . . . 0.0 111.052 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.9 m -114.23 140.67 48.38 Favored 'General case' 0 C--N 1.364 1.205 0 CA-C-O 124.405 2.05 . . . . 0.0 107.565 171.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -101.43 120.19 39.91 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 129.862 3.265 . . . . 0.0 108.752 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.4 mm -116.08 126.94 73.79 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 N-CA-C 105.709 -1.96 . . . . 0.0 105.709 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -127.64 117.16 21.48 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 128.256 2.622 . . . . 0.0 107.1 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.66 124.39 1.99 Allowed Glycine 0 CA--C 1.478 -2.234 0 O-C-N 120.81 -1.181 . . . . 0.0 110.683 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -158.06 158.59 35.07 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 106.063 -1.829 . . . . 0.0 106.063 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -123.28 109.72 14.29 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -157.36 37.32 0.28 Allowed 'General case' 0 C--N 1.356 0.878 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 169.85 -175.96 43.81 Favored Glycine 0 C--N 1.351 1.393 0 N-CA-C 104.452 -3.459 . . . . 0.0 104.452 -174.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -156.82 -171.7 3.76 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.432 1.093 . . . . 0.0 108.071 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -149.2 -57.86 0.21 Allowed 'General case' 0 C--N 1.357 0.916 0 CA-C-O 121.781 0.801 . . . . 0.0 108.961 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.1 p -133.68 124.95 48.82 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 N-CA-C 105.912 -1.884 . . . . 0.0 105.912 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.507 0 N-CA-C 108.126 -1.99 . . . . 0.0 108.126 -177.196 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.441 -0.915 0 CA-C-O 121.483 0.658 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -133.92 62.67 1.65 Allowed 'General case' 0 C--N 1.354 0.802 0 C-N-CA 125.551 1.54 . . . . 0.0 108.31 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -126.42 121.45 32.5 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 125.172 1.389 . . . . 0.0 107.663 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -151.52 147.23 26.58 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.611 -1.305 . . . . 0.0 107.783 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -136.82 109.21 7.34 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.78 50.14 2.18 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 125.159 1.383 . . . . 0.0 107.614 -178.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -94.74 159.86 14.87 Favored 'General case' 0 C--N 1.364 1.216 0 C-N-CA 125.036 1.334 . . . . 0.0 108.667 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -95.86 116.63 38.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.977 0 CA-C-O 124.3 2.0 . . . . 0.0 110.655 -172.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 110' ' ' TYR . 41.4 mm -103.42 158.06 5.02 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 C-N-CA 129.001 2.92 . . . . 0.0 110.845 -171.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.1 m -121.01 114.77 21.99 Favored 'General case' 0 C--N 1.373 1.593 0 O-C-N 120.469 -1.394 . . . . 0.0 108.667 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CG ' ' CZ ' ' A' ' 66' ' ' PHE . 42.3 m-85 -103.02 132.55 49.21 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 125.463 1.505 . . . . 0.0 110.501 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -129.9 148.55 51.78 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 125.568 1.547 . . . . 0.0 114.704 -172.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.9 p -123.76 156.05 36.75 Favored 'General case' 0 C--N 1.369 1.428 0 C-N-CA 127.791 2.436 . . . . 0.0 114.911 -176.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -117.89 129.64 55.76 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 126.844 2.058 . . . . 0.0 109.602 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.6 p -129.18 150.09 34.29 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 O-C-N 119.867 -1.771 . . . . 0.0 109.234 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.497 ' HG3' ' H ' ' A' ' 51' ' ' GLN . 7.6 pt-20 -126.82 -89.06 0.56 Allowed 'General case' 0 C--N 1.362 1.126 0 C-N-CA 126.948 2.099 . . . . 0.0 109.182 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.497 ' H ' ' HG3' ' A' ' 50' ' ' GLU 0.262 66.6 mt-30 64.83 -53.83 0.3 Allowed 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 119.481 3.141 . . . . 0.0 119.481 176.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . 0.276 83.2 p 100.95 -16.15 0.03 OUTLIER 'General case' 0 C--N 1.37 1.49 0 C-N-CA 131.269 3.828 . . . . 0.0 112.167 -177.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 61.33 28.32 17.81 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 130.47 3.508 . . . . 0.0 115.289 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 106.17 31.71 4.0 Favored Glycine 0 C--N 1.363 2.044 0 C-N-CA 126.743 2.116 . . . . 0.0 113.362 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 76.24 26.91 0.91 Allowed 'General case' 0 C--N 1.37 1.47 0 C-N-CA 127.908 2.483 . . . . 0.0 114.121 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.87 -36.72 2.14 Favored Glycine 0 C--N 1.363 2.034 0 C-N-CA 124.545 1.069 . . . . 0.0 115.367 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -133.27 75.4 0.42 Allowed Glycine 0 C--N 1.352 1.444 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -80.04 71.88 6.79 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 126.489 1.916 . . . . 0.0 112.981 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.6 t -154.23 -168.4 2.93 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 126.866 2.066 . . . . 0.0 105.925 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -127.24 152.24 47.66 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 126.17 1.788 . . . . 0.0 110.624 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -139.84 149.26 43.24 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 125.46 1.504 . . . . 0.0 110.153 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -114.28 127.16 55.73 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 128.367 2.667 . . . . 0.0 105.903 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.34 160.64 28.46 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -83.35 146.76 28.31 Favored 'General case' 0 C--N 1.364 1.224 0 C-N-CA 125.648 1.579 . . . . 0.0 111.342 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -97.39 -59.23 1.82 Allowed 'General case' 0 C--N 1.361 1.096 0 C-N-CA 125.394 1.478 . . . . 0.0 111.613 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.404 ' CZ ' ' CG ' ' A' ' 45' ' ' PHE . 12.6 p90 -162.54 173.58 13.8 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 -178.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.9 t -137.08 133.41 35.37 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 103.564 -2.754 . . . . 0.0 103.564 174.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.37 157.95 43.12 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.0 -1.062 . . . . 0.0 112.819 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.51 114.28 20.81 Favored 'General case' 0 C--N 1.369 1.423 0 O-C-N 120.271 -1.518 . . . . 0.0 109.263 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.74 170.33 10.97 Favored 'General case' 0 CA--C 1.496 -1.115 0 O-C-N 120.944 -1.097 . . . . 0.0 109.345 -164.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -122.87 108.87 13.47 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 174.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.596 HG12 ' HE2' ' A' ' 92' ' ' TYR . 12.4 t -110.77 96.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.371 1.503 0 N-CA-C 101.359 -3.571 . . . . 0.0 101.359 -177.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -112.76 139.5 22.89 Favored Pre-proline 0 C--N 1.357 0.919 0 O-C-N 119.008 -2.307 . . . . 0.0 116.525 -163.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -71.35 146.88 51.64 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 123.091 2.527 . . . . 0.0 113.624 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.328 69.6 mt 74.66 123.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 130.115 3.366 . . . . 0.0 116.939 171.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.12 57.7 3.66 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 131.094 3.757 . . . . 0.0 112.337 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -101.49 -60.04 1.6 Allowed 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.767 2.027 . . . . 0.0 110.245 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -77.23 -32.9 56.11 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 127.259 2.224 . . . . 0.0 114.902 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -107.75 106.74 17.19 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 125.853 1.661 . . . . 0.0 107.532 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -82.41 -44.3 16.25 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 124.935 1.294 . . . . 0.0 113.922 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.2 t80 73.85 -83.86 0.03 OUTLIER 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.516 2.326 . . . . 0.0 112.466 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -167.11 156.05 10.21 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 100.721 -3.807 . . . . 0.0 100.721 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.29 0.47 37.32 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 64.35 -81.36 0.03 OUTLIER 'General case' 0 C--N 1.364 1.209 0 C-N-CA 128.592 2.757 . . . . 0.0 115.25 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.72 -62.25 0.1 Allowed 'General case' 0 C--N 1.348 0.501 0 C-N-CA 125.901 1.68 . . . . 0.0 107.065 176.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mp -136.59 78.92 1.73 Allowed 'General case' 0 C--N 1.352 0.693 0 C-N-CA 125.936 1.694 . . . . 0.0 106.52 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -104.2 129.99 51.96 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.349 1.46 . . . . 0.0 111.763 -177.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.0 p -81.96 130.3 61.05 Favored Pre-proline 0 C--N 1.353 0.73 0 C-N-CA 128.338 2.655 . . . . 0.0 114.502 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -76.88 134.62 14.94 Favored 'Trans proline' 0 CA--C 1.548 1.209 0 C-N-CA 124.24 3.293 . . . . 0.0 111.465 171.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . 0.389 0.2 OUTLIER 132.29 104.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.027 1 C-N-CA 131.791 4.036 . . . . 0.0 109.481 -179.482 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -179.05 -168.33 37.98 Favored Glycine 0 C--N 1.365 2.149 0 O-C-N 119.986 -1.696 . . . . 0.0 114.262 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.596 ' HE2' HG12 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -111.56 132.34 54.61 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 126.55 1.94 . . . . 0.0 107.277 174.652 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.93 124.67 33.67 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 125.436 1.494 . . . . 0.0 109.371 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.566 HG12 HG13 ' A' ' 72' ' ' VAL . 4.1 mp -120.67 143.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 C-N-CA 125.2 1.4 . . . . 0.0 113.085 -171.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.251 0.0 OUTLIER -122.07 113.86 20.13 Favored 'General case' 0 C--N 1.366 1.305 0 N-CA-C 102.81 -3.033 . . . . 0.0 102.81 166.495 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.0 t -140.48 158.97 64.96 Favored Pre-proline 0 C--N 1.366 1.294 0 O-C-N 120.881 -1.137 . . . . 0.0 110.154 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -68.13 148.32 74.91 Favored 'Trans proline' 0 CA--C 1.557 1.641 0 C-N-CA 124.093 3.195 . . . . 0.0 111.781 163.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.253 2.4 t80 -8.48 27.88 0.0 OUTLIER 'General case' 0 C--N 1.365 1.256 2 C-N-CA 137.096 6.158 . . . . 0.0 124.535 -177.305 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -103.12 138.01 40.52 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 119.675 -1.89 . . . . 0.0 109.749 175.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -114.52 24.93 11.43 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 120.446 -1.409 . . . . 0.0 111.875 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -102.12 -39.88 7.07 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 116.862 2.171 . . . . 0.0 116.862 -173.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.911 ' H ' HD12 ' A' ' 102' ' ' ILE . 2.7 mp -13.13 -68.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.375 1.691 1 C-N-CA 135.462 5.505 . . . . 0.0 119.207 -179.313 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.93 110.92 15.42 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 103.826 -2.657 . . . . 0.0 103.826 171.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -174.14 39.96 0.01 OUTLIER 'General case' 0 C--N 1.352 0.691 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 87.0 tttt 84.46 73.92 0.02 OUTLIER 'General case' 0 C--N 1.369 1.45 0 C-N-CA 129.35 3.06 . . . . 0.0 107.5 -171.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.9 mmt -151.25 179.05 8.64 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 123.116 1.436 . . . . 0.0 109.754 -169.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -137.23 134.84 36.67 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 128.198 2.599 . . . . 0.0 104.65 174.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.584 HG11 HG11 ' A' ' 72' ' ' VAL . 60.7 t -128.39 141.2 47.16 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 O-C-N 119.68 -1.887 . . . . 0.0 106.364 177.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.5 mp -102.47 105.94 19.01 Favored 'Isoleucine or valine' 0 C--N 1.37 1.477 0 N-CA-C 100.838 -3.764 . . . . 0.0 100.838 170.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.468 ' HA ' HD12 ' A' ' 43' ' ' ILE . 21.0 t80 -102.38 91.58 4.32 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 129.94 3.296 . . . . 0.0 107.41 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 58.19 32.94 22.65 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 127.673 2.389 . . . . 0.0 116.293 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.08 3.79 65.27 Favored Glycine 0 C--N 1.363 2.033 0 C-N-CA 125.995 1.76 . . . . 0.0 116.219 -173.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -105.57 129.19 53.88 Favored 'General case' 0 C--N 1.361 1.088 0 CA-C-N 119.629 1.715 . . . . 0.0 107.407 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.8 tt -114.17 118.77 59.41 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 CA-C-O 122.127 0.965 . . . . 0.0 111.712 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.1 t -130.98 143.55 40.51 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 C-N-CA 125.53 1.532 . . . . 0.0 109.041 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 32.7 m -109.23 134.57 51.6 Favored 'General case' 0 C--N 1.378 1.818 0 C-N-CA 128.708 2.803 . . . . 0.0 107.668 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -167.14 172.6 9.85 Favored 'General case' 0 C--N 1.362 1.131 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -170.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.8 tp -124.92 156.72 33.61 Favored 'Isoleucine or valine' 0 C--N 1.366 1.302 0 C-N-CA 127.666 2.386 . . . . 0.0 110.186 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.437 ' HA2' ' HA2' ' A' ' 135' ' ' GLY . . . -170.15 -168.03 31.42 Favored Glycine 0 C--N 1.366 2.217 0 O-C-N 120.819 -1.176 . . . . 0.0 113.495 176.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -141.16 131.23 13.07 Favored Pre-proline 0 C--N 1.371 1.505 0 C-N-CA 127.803 2.441 . . . . 0.0 110.606 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -103.12 143.34 0.16 Allowed 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 124.545 3.496 . . . . 0.0 114.704 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.35 139.65 49.56 Favored 'Isoleucine or valine' 0 C--N 1.367 1.366 0 C-N-CA 125.169 1.388 . . . . 0.0 108.461 172.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -101.89 144.34 30.65 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 119.388 -2.07 . . . . 0.0 113.415 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.3 mp -93.71 -21.48 19.32 Favored 'General case' 0 C--N 1.367 1.349 0 O-C-N 121.229 -0.919 . . . . 0.0 109.182 171.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . 0.39 82.5 p 80.06 -58.75 0.34 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 118.641 2.83 . . . . 0.0 118.641 172.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -97.22 -166.68 32.71 Favored Glycine 0 C--N 1.36 1.861 0 N-CA-C 116.942 1.537 . . . . 0.0 116.942 -172.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.8 mt 59.11 -67.05 0.03 OUTLIER 'General case' 0 C--N 1.363 1.167 0 C-N-CA 130.638 3.575 . . . . 0.0 117.444 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -111.34 -16.28 13.4 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 125.793 1.637 . . . . 0.0 110.228 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 75.93 64.96 0.06 Allowed 'General case' 0 C--N 1.375 1.687 0 C-N-CA 128.2 2.6 . . . . 0.0 108.745 -176.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 13.7 pt -116.92 137.13 51.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 CA-C-O 122.742 1.258 . . . . 0.0 113.977 -170.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 26.8 m -115.23 141.02 48.59 Favored 'General case' 0 C--N 1.368 1.394 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 175.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -120.49 137.18 54.5 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-O 124.425 2.06 . . . . 0.0 106.744 176.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.3 mp -126.14 136.26 61.35 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.845 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 -175.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -128.33 129.45 46.31 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 172.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.437 ' HA2' ' HA2' ' A' ' 119' ' ' GLY . . . -128.83 161.38 22.44 Favored Glycine 0 CA--C 1.481 -2.044 0 N-CA-C 107.335 -2.306 . . . . 0.0 107.335 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -158.42 165.96 33.38 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-N 118.626 1.213 . . . . 0.0 110.873 -177.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -120.35 132.77 55.42 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 124.018 0.927 . . . . 0.0 109.887 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -151.38 175.51 12.18 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -95.34 146.71 18.33 Favored Glycine 0 C--N 1.361 1.93 0 C-N-CA 125.108 1.337 . . . . 0.0 113.559 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -164.19 176.99 8.71 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -153.82 171.68 18.55 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 105.176 -2.157 . . . . 0.0 105.176 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.7 p -99.11 53.48 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.962 0 C-N-CA 126.597 1.959 . . . . 0.0 111.228 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.463 0 N-CA-C 108.556 -1.817 . . . . 0.0 108.556 179.875 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.442 -0.832 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.3 t80 72.95 -54.25 0.7 Allowed 'General case' 0 C--N 1.36 1.031 0 C-N-CA 128.841 2.856 . . . . 0.0 115.053 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -97.38 149.82 21.69 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 126.666 1.986 . . . . 0.0 112.369 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -114.84 145.61 41.96 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 125.244 1.418 . . . . 0.0 108.79 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -106.1 -56.25 2.21 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 125.013 1.325 . . . . 0.0 112.321 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -173.51 -95.88 0.01 OUTLIER 'General case' 0 C--N 1.357 0.926 0 C-N-CA 125.454 1.502 . . . . 0.0 109.572 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -150.76 171.36 17.31 Favored 'General case' 0 C--N 1.36 1.06 0 O-C-N 120.034 -1.666 . . . . 0.0 114.464 -172.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -105.38 115.59 47.49 Favored 'Isoleucine or valine' 0 C--N 1.372 1.566 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 172.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -113.14 161.77 11.82 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 C-N-CA 125.66 1.584 . . . . 0.0 113.82 -167.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 m -105.6 113.42 26.97 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 127.623 2.369 . . . . 0.0 108.704 174.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.637 ' CE1' HG22 ' A' ' 102' ' ' ILE . 98.3 m-85 -111.36 125.04 53.43 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.398 0.999 . . . . 0.0 113.012 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -123.84 149.19 46.04 Favored 'General case' 0 C--N 1.371 1.51 0 C-N-CA 125.265 1.426 . . . . 0.0 112.189 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.2 p -115.19 165.25 13.14 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.909 2.484 . . . . 0.0 111.313 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -100.16 118.94 37.53 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 125.304 1.441 . . . . 0.0 110.041 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.0 m -127.16 150.16 32.83 Favored 'Isoleucine or valine' 0 C--N 1.362 1.114 0 C-N-CA 125.577 1.551 . . . . 0.0 109.419 -177.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -114.33 133.03 55.97 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 126.452 1.901 . . . . 0.0 108.346 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -129.46 -176.38 3.88 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 125.427 1.491 . . . . 0.0 110.138 -176.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . 0.256 9.4 t 89.38 -61.11 0.02 OUTLIER 'General case' 0 C--N 1.367 1.354 0 C-N-CA 126.668 1.987 . . . . 0.0 114.385 174.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -152.34 -168.66 3.12 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.16 -35.4 3.67 Favored Glycine 0 C--N 1.354 1.534 0 C-N-CA 126.446 1.974 . . . . 0.0 111.05 172.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -162.57 68.04 0.23 Allowed 'General case' 0 C--N 1.357 0.923 0 O-C-N 121.613 -0.933 . . . . 0.0 109.024 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 170.65 83.73 0.06 OUTLIER Glycine 0 C--N 1.357 1.733 0 O-C-N 119.849 -1.782 . . . . 0.0 111.188 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.97 74.3 1.23 Allowed Glycine 0 C--N 1.364 2.093 0 C-N-CA 125.148 1.356 . . . . 0.0 110.015 -177.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -117.74 144.58 45.16 Favored 'General case' 0 CA--C 1.506 -0.731 0 O-C-N 121.569 -0.96 . . . . 0.0 110.194 -172.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.3 m -141.02 138.83 33.95 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 104.259 -2.497 . . . . 0.0 104.259 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -113.66 149.1 35.15 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 126.452 1.901 . . . . 0.0 109.232 -176.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -152.55 161.06 43.1 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -97.76 113.03 24.71 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 129.479 3.111 . . . . 0.0 107.303 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.4 t -118.97 151.12 21.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 125.631 1.572 . . . . 0.0 107.255 -174.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -64.74 137.43 57.79 Favored 'General case' 0 C--N 1.367 1.334 0 C-N-CA 127.233 2.213 . . . . 0.0 114.816 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -101.16 -45.98 5.2 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 128.944 2.898 . . . . 0.0 107.827 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.406 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 1.6 p90 -171.06 177.4 3.7 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 103.725 -2.695 . . . . 0.0 103.725 -178.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.8 t -141.32 131.68 25.14 Favored 'General case' 0 CA--C 1.502 -0.874 1 N-CA-C 98.089 -4.782 . . . . 0.0 98.089 169.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.75 165.04 35.25 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -174.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.37 114.57 20.92 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 128.155 2.582 . . . . 0.0 109.395 174.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.15 160.39 43.41 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 -173.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -104.48 104.0 13.78 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 102.904 -2.999 . . . . 0.0 102.904 169.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.487 HG13 HD13 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -111.06 114.46 47.18 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 1 N-CA-C 97.044 -5.169 . . . . 0.0 97.044 179.749 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.99 140.39 23.98 Favored Pre-proline 0 C--N 1.368 1.401 0 CA-C-N 120.858 1.663 . . . . 0.0 110.76 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -72.05 133.64 21.83 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 124.271 3.314 . . . . 0.0 108.373 164.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.7 tp -69.06 139.28 20.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 -174.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 p -61.18 9.19 0.03 OUTLIER 'General case' 0 C--N 1.363 1.183 0 N-CA-C 120.77 3.618 . . . . 0.0 120.77 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.39 10.49 12.74 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 125.959 1.704 . . . . 0.0 110.237 174.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -20.06 64.65 Favored 'General case' 0 C--N 1.367 1.361 0 N-CA-C 118.273 2.694 . . . . 0.0 118.273 -175.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -133.32 -34.95 1.04 Allowed 'General case' 0 C--N 1.352 0.705 0 C-N-CA 124.318 1.047 . . . . 0.0 112.538 -176.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -81.38 -45.41 16.16 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 125.921 1.688 . . . . 0.0 114.064 -177.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 75.47 31.12 0.78 Allowed 'General case' 0 C--N 1.365 1.246 0 C-N-CA 128.449 2.699 . . . . 0.0 114.665 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -110.08 151.73 26.84 Favored 'General case' 0 C--N 1.362 1.13 0 O-C-N 119.585 -1.947 . . . . 0.0 111.883 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.47 30.03 1.59 Allowed 'General case' 0 C--N 1.361 1.072 0 C-N-CA 127.463 2.305 . . . . 0.0 115.292 -175.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -70.49 50.57 0.12 Allowed 'General case' 0 C--N 1.36 1.047 0 C-N-CA 127.517 2.327 . . . . 0.0 116.391 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 79.34 -47.57 0.38 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 131.627 3.971 . . . . 0.0 115.506 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.4 mt -88.57 66.03 8.04 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 126.809 2.043 . . . . 0.0 115.823 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -137.12 135.49 37.46 Favored 'General case' 0 C--N 1.364 1.232 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.0 p -132.57 163.23 52.15 Favored Pre-proline 0 C--N 1.358 0.971 1 N-CA-C 99.189 -4.374 . . . . 0.0 99.189 170.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -79.18 154.12 25.0 Favored 'Trans proline' 0 CA--C 1.546 1.077 1 CA-C-N 129.964 4.594 . . . . 0.0 113.603 -176.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.7 tt -36.36 115.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.372 1.569 1 C-N-CA 133.774 4.83 . . . . 0.0 116.864 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 155.74 -155.0 25.96 Favored Glycine 0 C--N 1.359 1.824 0 N-CA-C 108.47 -1.852 . . . . 0.0 108.47 -165.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -106.54 142.43 36.21 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-O 123.407 1.575 . . . . 0.0 110.362 174.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -116.62 119.49 35.68 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 104.089 -2.559 . . . . 0.0 104.089 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.806 HG23 HG23 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -150.23 130.66 4.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 O-C-N 119.902 -1.748 . . . . 0.0 111.941 -171.585 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.259 2.9 p90 -126.14 146.46 49.94 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.288 1.835 . . . . 0.0 107.035 169.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.405 HG22 ' HD2' ' A' ' 97' ' ' PRO . 0.9 OUTLIER -137.87 153.98 74.16 Favored Pre-proline 0 C--N 1.353 0.76 0 C-N-CA 126.57 1.948 . . . . 0.0 106.387 -175.429 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.405 ' HD2' HG22 ' A' ' 96' ' ' THR . 94.6 Cg_endo -71.92 126.59 12.05 Favored 'Trans proline' 0 CA--C 1.558 1.698 0 C-N-CA 123.02 2.48 . . . . 0.0 108.823 161.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.296 0.5 OUTLIER 18.82 19.07 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.108 2 C-N-CA 134.827 5.251 . . . . 0.0 124.889 -176.148 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -103.74 128.99 51.07 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 126.982 2.113 . . . . 0.0 109.26 176.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -104.66 37.29 2.17 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 125.673 1.589 . . . . 0.0 108.536 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.403 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 95.6 mtt180 -102.14 -49.31 3.95 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 -168.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.735 HG21 HD11 ' A' ' 94' ' ' ILE . 1.0 OUTLIER -13.7 -71.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.39 2.343 1 C-N-CA 132.447 4.299 . . . . 0.0 119.982 173.646 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.434 ' H ' ' CD1' ' A' ' 102' ' ' ILE 0.283 12.9 p-10 -133.31 113.24 12.37 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.783 1.233 . . . . 0.0 109.848 165.8 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -173.18 55.89 0.02 OUTLIER 'General case' 0 C--N 1.352 0.684 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 82.72 62.64 0.02 OUTLIER 'General case' 0 C--N 1.37 1.477 0 C-N-CA 129.653 3.181 . . . . 0.0 110.108 -173.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.2 mmt -137.13 162.44 33.4 Favored 'General case' 0 C--N 1.362 1.117 0 CA-C-O 123.02 1.39 . . . . 0.0 112.362 -171.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -130.08 123.52 30.62 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 101.77 -3.419 . . . . 0.0 101.77 171.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.9 m -128.02 152.57 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.751 0 CA-C-O 122.868 1.318 . . . . 0.0 108.801 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.7 mt -117.59 105.99 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 N-CA-C 101.095 -3.668 . . . . 0.0 101.095 168.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.86 124.79 53.1 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 103.597 -2.742 . . . . 0.0 103.597 174.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 48.48 31.96 3.11 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 128.659 2.784 . . . . 0.0 117.387 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.6 10.36 79.6 Favored Glycine 0 C--N 1.359 1.83 0 C-N-CA 126.195 1.855 . . . . 0.0 116.335 -175.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -110.26 126.65 54.4 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-N 120.005 1.903 . . . . 0.0 109.25 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.39 118.0 44.24 Favored 'Isoleucine or valine' 0 C--N 1.37 1.464 0 C-N-CA 124.724 1.21 . . . . 0.0 110.192 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.5 m -131.41 152.51 37.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 C-N-CA 125.752 1.621 . . . . 0.0 109.659 177.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.3 t -123.82 133.66 53.76 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 126.888 2.075 . . . . 0.0 105.59 176.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -169.45 160.14 9.02 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 123.929 0.892 . . . . 0.0 112.151 -171.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.39 132.54 60.42 Favored 'Isoleucine or valine' 0 C--N 1.361 1.09 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 177.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -130.4 -174.38 13.67 Favored Glycine 0 C--N 1.364 2.084 0 C-N-CA 124.413 1.006 . . . . 0.0 112.774 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -134.88 83.93 39.38 Favored Pre-proline 0 C--N 1.36 1.045 0 C-N-CA 126.861 2.064 . . . . 0.0 109.815 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -75.87 134.27 16.21 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 124.736 3.624 . . . . 0.0 115.087 -171.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.3 p -116.34 139.2 44.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.965 0 C-N-CA 124.775 1.23 . . . . 0.0 111.27 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -87.98 153.93 20.9 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 127.181 2.193 . . . . 0.0 111.937 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 31.6 tp -88.74 -37.93 15.1 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 83.6 p -169.07 -159.71 0.24 Allowed 'General case' 0 C--N 1.359 1.016 0 O-C-N 120.151 -1.593 . . . . 0.0 110.739 -174.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -127.64 34.9 2.91 Favored Glycine 0 C--N 1.359 1.821 0 C-N-CA 127.377 2.418 . . . . 0.0 108.747 165.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 60.6 tp -133.58 -55.99 0.89 Allowed 'General case' 0 C--N 1.359 1.004 0 C-N-CA 126.639 1.976 . . . . 0.0 110.14 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -113.15 94.74 5.03 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 127.784 2.434 . . . . 0.0 105.778 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -64.77 59.23 0.02 OUTLIER 'General case' 0 C--N 1.361 1.072 1 C-N-CA 132.006 4.122 . . . . 0.0 117.648 -173.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 75.9 mt -116.71 129.8 72.63 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 C-N-CA 127.573 2.349 . . . . 0.0 110.444 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.0 p -113.37 128.82 56.59 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 127.342 2.257 . . . . 0.0 107.843 170.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 53.6 ttt85 -124.5 137.79 54.39 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 120.382 -1.449 . . . . 0.0 111.566 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.806 HG23 HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -129.2 124.33 60.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 175.614 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -121.55 126.15 48.47 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 104.124 -2.547 . . . . 0.0 104.124 173.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -142.54 149.17 21.02 Favored Glycine 0 C--N 1.352 1.452 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -174.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -126.04 135.97 52.41 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 126.32 1.848 . . . . 0.0 107.933 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -126.42 114.05 17.68 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.854 1.262 . . . . 0.0 108.142 -177.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -136.67 121.83 19.11 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.68 -116.79 8.13 Favored Glycine 0 C--N 1.364 2.125 0 C-N-CA 125.6 1.572 . . . . 0.0 116.117 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -124.23 42.31 3.28 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 125.088 1.355 . . . . 0.0 109.769 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.7 t80 81.13 51.84 0.02 OUTLIER 'General case' 0 C--N 1.366 1.315 0 C-N-CA 128.242 2.617 . . . . 0.0 111.358 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.65 97.57 5.84 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 C-N-CA 124.442 1.097 . . . . 0.0 108.321 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.361 1.97 0 C-N-CA 124.694 1.14 . . . . 0.0 111.945 -175.448 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.6 mmm . . . . . 0 N--CA 1.442 -0.858 0 CA-C-O 121.657 0.741 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -128.73 -138.21 0.23 Allowed 'General case' 0 C--N 1.354 0.765 0 C-N-CA 125.85 1.66 . . . . 0.0 107.138 -178.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -83.29 60.5 5.61 Favored 'General case' 0 C--N 1.363 1.159 0 O-C-N 119.503 -1.998 . . . . 0.0 114.533 178.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -112.69 98.26 7.11 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 103.216 -2.883 . . . . 0.0 103.216 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -91.54 161.79 14.8 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 -171.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -57.56 -27.53 62.75 Favored 'General case' 0 C--N 1.365 1.274 1 C-N-CA 132.298 4.239 . . . . 0.0 116.301 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.559 ' HB3' ' HE ' ' A' ' 111' ' ' ARG . 0.7 OUTLIER -118.93 132.09 56.07 Favored 'General case' 0 C--N 1.365 1.248 0 CA-C-O 123.025 1.393 . . . . 0.0 108.653 173.839 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.31 115.88 49.64 Favored 'Isoleucine or valine' 0 C--N 1.365 1.239 0 N-CA-C 103.742 -2.688 . . . . 0.0 103.742 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 110' ' ' TYR . 33.7 mm -102.41 158.89 4.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 C-N-CA 125.776 1.631 . . . . 0.0 111.474 -167.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.72 109.46 16.12 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 125.423 1.489 . . . . 0.0 108.38 -178.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.604 ' CE2' HG22 ' A' ' 102' ' ' ILE . 40.5 m-85 -102.59 130.4 49.45 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 124.872 1.269 . . . . 0.0 112.844 -176.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -139.77 170.05 16.6 Favored 'General case' 0 C--N 1.374 1.667 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -173.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -141.73 165.86 26.33 Favored 'General case' 0 C--N 1.372 1.548 0 CA-C-O 122.337 1.065 . . . . 0.0 111.383 -176.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -122.18 127.24 49.8 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 127.124 2.17 . . . . 0.0 105.453 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.6 m -137.98 144.63 30.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 C-N-CA 125.826 1.65 . . . . 0.0 109.188 -177.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -117.61 22.65 12.24 Favored 'General case' 0 C--N 1.372 1.548 0 C-N-CA 126.423 1.889 . . . . 0.0 111.492 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -95.98 95.07 7.97 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 128.844 2.858 . . . . 0.0 109.482 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.0 t -103.76 0.52 30.54 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 128.036 2.534 . . . . 0.0 110.487 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 105.01 175.42 0.0 OUTLIER 'General case' 0 C--N 1.364 1.207 0 C-N-CA 131.423 3.889 . . . . 0.0 108.197 -173.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -93.14 65.88 1.88 Allowed Glycine 0 C--N 1.369 2.411 0 C-N-CA 126.676 2.084 . . . . 0.0 112.714 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -155.24 154.82 32.77 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 103.117 -2.92 . . . . 0.0 103.117 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.99 56.47 0.55 Allowed Glycine 0 C--N 1.36 1.878 0 N-CA-C 119.695 2.638 . . . . 0.0 119.695 -172.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -142.78 45.38 0.92 Allowed Glycine 0 C--N 1.348 1.225 0 N-CA-C 107.63 -2.188 . . . . 0.0 107.63 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -85.0 93.71 8.65 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 126.75 2.02 . . . . 0.0 113.768 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.0 t -129.03 -173.92 3.12 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 175.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -126.91 159.43 34.03 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 125.468 1.507 . . . . 0.0 111.82 -174.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -150.96 161.33 42.94 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 126.986 2.114 . . . . 0.0 107.361 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -104.39 133.76 48.74 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 128.904 2.882 . . . . 0.0 106.252 175.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.5 t -135.23 149.37 28.78 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 C-N-CA 127.472 2.309 . . . . 0.0 107.575 -173.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -95.75 136.2 36.47 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 126.279 1.832 . . . . 0.0 109.245 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -92.54 -55.89 3.23 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 124.987 1.315 . . . . 0.0 112.503 -172.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 6.0 p90 -168.88 176.88 5.25 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 -177.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -136.81 133.53 36.01 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 104.421 -2.437 . . . . 0.0 104.421 171.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.74 155.38 42.92 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.39 114.77 21.07 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 127.161 2.184 . . . . 0.0 105.216 173.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -166.69 155.0 10.14 Favored 'General case' 0 CA--C 1.476 -1.892 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 -163.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -97.29 108.44 21.16 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 104.162 -2.533 . . . . 0.0 104.162 171.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.517 HG22 HD13 ' A' ' 94' ' ' ILE . 2.1 t -123.37 98.42 5.55 Favored 'Isoleucine or valine' 0 C--N 1.364 1.211 1 N-CA-C 97.414 -5.032 . . . . 0.0 97.414 178.842 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -137.85 153.46 73.79 Favored Pre-proline 0 C--N 1.369 1.423 0 O-C-N 120.397 -1.44 . . . . 0.0 111.734 -167.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.19 140.94 38.43 Favored 'Trans proline' 0 C--N 1.367 1.534 1 C-N-CA 125.624 4.216 . . . . 0.0 113.908 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.31 57.8 mt 43.79 -79.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.265 1 C-N-CA 133.2 4.6 . . . . 0.0 115.988 179.53 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 75.1 m -166.14 39.81 0.06 Allowed 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 175.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 53.89 -61.23 0.01 OUTLIER 'General case' 0 C--N 1.371 1.517 0 N-CA-C 119.242 3.053 . . . . 0.0 119.242 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -95.35 -42.68 8.38 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 128.596 2.758 . . . . 0.0 108.829 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . 0.303 83.3 mt-10 90.46 135.55 0.03 OUTLIER 'General case' 0 C--N 1.361 1.079 0 C-N-CA 129.044 2.938 . . . . 0.0 115.885 176.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -88.96 -1.11 57.95 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.429 1.892 . . . . 0.0 113.784 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -169.35 168.95 9.34 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 104.419 -2.437 . . . . 0.0 104.419 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -78.9 73.77 5.44 Favored 'General case' 0 C--N 1.368 1.384 0 CA-C-O 122.988 1.375 . . . . 0.0 113.59 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.09 2.31 54.28 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 129.747 3.219 . . . . 0.0 116.193 -176.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . 0.262 34.1 mt-30 94.72 108.39 0.02 OUTLIER 'General case' 0 C--N 1.357 0.914 0 C-N-CA 129.059 2.944 . . . . 0.0 114.239 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.37 -3.09 9.97 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 125.683 1.593 . . . . 0.0 112.711 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.7 mt -111.85 -30.03 7.45 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -86.82 -80.92 0.23 Allowed 'General case' 0 C--N 1.363 1.167 0 C-N-CA 125.028 1.331 . . . . 0.0 112.862 -177.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 t -159.6 147.4 13.19 Favored Pre-proline 0 C--N 1.36 1.032 0 N-CA-C 105.658 -1.979 . . . . 0.0 105.658 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -79.24 123.55 5.62 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 123.247 2.632 . . . . 0.0 113.748 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.1 pt -98.11 1.14 10.53 Favored 'Isoleucine or valine' 0 C--N 1.361 1.069 0 C-N-CA 126.803 2.041 . . . . 0.0 113.671 -177.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -146.79 147.52 18.46 Favored Glycine 0 C--N 1.351 1.402 0 N-CA-C 108.531 -1.828 . . . . 0.0 108.531 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -127.66 143.53 51.15 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 125.799 1.639 . . . . 0.0 106.949 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -128.39 120.97 28.01 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 100.882 -3.748 . . . . 0.0 100.882 175.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.517 HD13 HG22 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -140.07 126.0 21.55 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 CA-C-O 122.87 1.319 . . . . 0.0 109.967 -166.782 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.295 0.1 OUTLIER -129.45 128.73 43.52 Favored 'General case' 0 C--N 1.369 1.414 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 171.61 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.4 t -139.75 157.16 70.4 Favored Pre-proline 0 C--N 1.347 0.49 0 C-N-CA 128.192 2.597 . . . . 0.0 106.715 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -71.71 144.89 45.12 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 123.814 3.009 . . . . 0.0 110.656 166.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.297 0.2 OUTLIER 6.01 22.99 0.0 OUTLIER 'General case' 0 C--N 1.359 0.98 2 C-N-CA 137.873 6.469 . . . . 0.0 125.376 -175.676 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -103.5 129.91 50.77 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 127.832 2.453 . . . . 0.0 109.414 175.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -105.61 15.5 26.87 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 127.279 2.232 . . . . 0.0 108.77 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.462 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 28.8 mmm180 -99.18 2.05 45.46 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 129.154 2.982 . . . . 0.0 118.113 -168.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.604 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -68.28 -73.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.139 0 C-N-CA 128.887 2.875 . . . . 0.0 114.704 173.397 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -120.96 124.51 45.08 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 126.512 1.925 . . . . 0.0 109.351 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -143.58 -71.33 0.3 Allowed 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 102.328 -3.212 . . . . 0.0 102.328 173.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.409 ' H ' ' HG3' ' A' ' 106' ' ' MET . 24.9 ttmm -162.98 77.75 0.45 Allowed 'General case' 0 N--CA 1.448 -0.531 1 N-CA-C 98.983 -4.451 . . . . 0.0 98.983 173.635 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.409 ' HG3' ' H ' ' A' ' 105' ' ' LYS . 82.5 mtp -149.16 -178.37 6.35 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 125.382 1.473 . . . . 0.0 108.595 -165.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -128.5 137.45 51.79 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 124.888 1.275 . . . . 0.0 108.411 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 72' ' ' VAL . 47.6 t -129.54 146.55 34.0 Favored 'Isoleucine or valine' 0 C--N 1.358 0.965 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 175.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.5 pt -121.16 111.39 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 171.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.411 ' HA ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -95.04 111.64 23.42 Favored 'General case' 0 C--N 1.373 1.587 0 C-N-CA 127.658 2.383 . . . . 0.0 104.8 173.085 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.559 ' HE ' ' HB3' ' A' ' 41' ' ' ASP . 98.2 mtt180 45.77 32.31 1.21 Allowed 'General case' 0 C--N 1.368 1.396 0 N-CA-C 118.549 2.796 . . . . 0.0 118.549 -177.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.54 5.41 65.05 Favored Glycine 0 C--N 1.361 1.958 0 C-N-CA 125.536 1.541 . . . . 0.0 115.744 -173.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -99.86 113.07 25.36 Favored 'General case' 0 C--N 1.365 1.246 0 CA-C-N 119.688 1.744 . . . . 0.0 109.797 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.729 ' H ' HD13 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -79.2 114.17 19.58 Favored 'Isoleucine or valine' 0 C--N 1.365 1.272 0 C-N-CA 130.593 3.557 . . . . 0.0 115.022 -176.838 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 25.1 t -131.69 137.79 54.33 Favored 'Isoleucine or valine' 0 C--N 1.362 1.14 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.7 t -118.26 129.65 55.59 Favored 'General case' 0 C--N 1.366 1.324 0 N-CA-C 104.497 -2.408 . . . . 0.0 104.497 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -158.19 161.36 37.83 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 -170.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.478 HD13 ' H ' ' A' ' 118' ' ' ILE . 0.2 OUTLIER -106.11 136.36 40.88 Favored 'Isoleucine or valine' 0 C--N 1.369 1.444 0 C-N-CA 127.67 2.388 . . . . 0.0 110.074 174.785 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -162.82 -178.13 36.39 Favored Glycine 0 C--N 1.365 2.163 0 O-C-N 119.912 -1.742 . . . . 0.0 111.148 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -151.81 127.5 4.98 Favored Pre-proline 0 C--N 1.369 1.428 0 CA-C-N 118.481 1.14 . . . . 0.0 109.467 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -93.53 159.0 2.42 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.859 3.706 . . . . 0.0 114.148 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 15.0 m -130.2 134.36 62.75 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 C-N-CA 126.118 1.767 . . . . 0.0 107.219 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -102.11 142.75 32.88 Favored 'General case' 0 C--N 1.366 1.3 0 O-C-N 120.588 -1.32 . . . . 0.0 111.674 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -84.46 -30.05 25.58 Favored 'General case' 0 C--N 1.362 1.131 0 O-C-N 120.353 -1.467 . . . . 0.0 114.056 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.4 t 70.69 -66.21 0.3 Allowed 'General case' 0 C--N 1.357 0.914 0 C-N-CA 126.534 1.933 . . . . 0.0 115.996 175.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -94.85 55.3 1.9 Allowed Glycine 0 C--N 1.364 2.122 0 C-N-CA 126.151 1.834 . . . . 0.0 112.084 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.6 mt -162.01 169.9 20.22 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 128.058 2.543 . . . . 0.0 104.576 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -44.85 19.72 0.0 OUTLIER 'General case' 0 C--N 1.36 1.047 2 C-N-CA 134.019 4.928 . . . . 0.0 122.707 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 69.45 51.02 0.5 Allowed 'General case' 0 C--N 1.366 1.284 0 C-N-CA 128.647 2.779 . . . . 0.0 111.551 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 17.8 tt -112.55 129.16 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 O-C-N 120.337 -1.477 . . . . 0.0 111.064 -174.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.9 p -108.12 126.26 52.56 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 174.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -124.09 135.42 53.53 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 105.288 -2.116 . . . . 0.0 105.288 -175.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.519 HG21 HD11 ' A' ' 102' ' ' ILE . 2.2 tt -148.43 147.6 16.79 Favored 'Isoleucine or valine' 0 C--N 1.349 0.577 0 CA-C-O 122.39 1.09 . . . . 0.0 109.351 -173.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.95 139.26 51.97 Favored 'General case' 0 C--N 1.36 1.047 0 N-CA-C 103.536 -2.765 . . . . 0.0 103.536 170.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.56 161.22 28.35 Favored Glycine 0 C--N 1.358 1.773 0 N-CA-C 108.156 -1.978 . . . . 0.0 108.156 177.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -144.95 165.78 27.18 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.621 -1.517 . . . . 0.0 109.238 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -129.92 115.19 16.83 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 173.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -154.66 177.84 10.78 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 104.689 -2.338 . . . . 0.0 104.689 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -154.82 -159.73 9.45 Favored Glycine 0 C--N 1.355 1.621 0 N-CA-C 108.732 -1.747 . . . . 0.0 108.732 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -154.03 -176.33 5.8 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.866 1.266 . . . . 0.0 107.586 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -153.33 165.75 34.77 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.3 t -96.67 64.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.194 0 C-N-CA 125.198 1.399 . . . . 0.0 109.601 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.473 0 N-CA-C 109.184 -1.567 . . . . 0.0 109.184 -178.922 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.7 ptm . . . . . 0 N--CA 1.446 -0.631 0 CA-C-O 122.729 1.252 . . . . 0.0 108.42 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -162.22 179.92 7.54 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 103.798 -2.667 . . . . 0.0 103.798 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -82.24 64.29 6.84 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 126.08 1.752 . . . . 0.0 111.006 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -127.3 9.61 6.7 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 126.373 1.869 . . . . 0.0 111.97 -174.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 71' ' ' HIS . 16.9 m-85 -96.07 45.41 1.07 Allowed 'General case' 0 C--N 1.361 1.085 0 O-C-N 119.494 -2.004 . . . . 0.0 111.744 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -134.66 44.49 2.65 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 127.429 2.291 . . . . 0.0 109.439 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -107.65 171.85 7.16 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 120.253 -1.53 . . . . 0.0 111.071 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.35 131.2 44.75 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 C-N-CA 126.195 1.798 . . . . 0.0 106.313 175.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.1 mp -126.03 151.82 32.67 Favored 'Isoleucine or valine' 0 C--N 1.363 1.177 0 C-N-CA 124.981 1.312 . . . . 0.0 108.272 -176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.51 112.51 19.04 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 123.543 0.737 . . . . 0.0 111.585 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.453 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 77.5 m-85 -101.23 128.81 47.19 Favored 'General case' 0 C--N 1.363 1.178 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -138.2 168.94 18.68 Favored 'General case' 0 C--N 1.373 1.605 0 C-N-CA 125.569 1.548 . . . . 0.0 113.261 173.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.3 t -138.67 167.41 22.03 Favored 'General case' 0 C--N 1.369 1.456 0 C-N-CA 125.724 1.61 . . . . 0.0 112.512 176.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -110.28 116.6 31.77 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 128.796 2.838 . . . . 0.0 104.459 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.5 t -118.49 144.01 27.83 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 O-C-N 120.707 -1.246 . . . . 0.0 109.945 -167.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -89.88 139.64 30.39 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 125.695 1.598 . . . . 0.0 112.434 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -144.15 155.11 43.79 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.767 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 m 172.64 116.68 0.02 OUTLIER 'General case' 0 C--N 1.356 0.854 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.39 51.37 0.86 Allowed 'General case' 0 C--N 1.362 1.124 0 C-N-CA 126.834 2.053 . . . . 0.0 114.996 -173.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.95 -81.82 0.1 OUTLIER Glycine 0 C--N 1.355 1.592 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -147.88 114.08 5.87 Favored 'General case' 0 C--N 1.351 0.636 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 164.73 -152.93 22.87 Favored Glycine 0 C--N 1.355 1.613 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.25 44.32 0.03 OUTLIER Glycine 0 C--N 1.357 1.728 0 C-N-CA 123.516 0.579 . . . . 0.0 114.269 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -103.72 1.86 32.32 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 125.579 1.552 . . . . 0.0 111.167 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m -100.5 105.42 16.86 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 129.716 3.207 . . . . 0.0 109.597 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -116.16 127.58 54.93 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -144.52 149.2 35.52 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 121.254 -0.904 . . . . 0.0 109.454 -176.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -87.78 131.82 34.37 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 128.509 2.724 . . . . 0.0 115.782 -174.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 m -143.25 156.19 17.05 Favored 'Isoleucine or valine' 0 C--N 1.364 1.21 0 C-N-CA 127.761 2.425 . . . . 0.0 106.181 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -85.15 146.2 27.24 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 126.204 1.802 . . . . 0.0 112.216 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -99.23 -56.34 2.44 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 125.695 1.598 . . . . 0.0 111.735 -175.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.453 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 15.7 p90 -166.91 171.83 10.88 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 -179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.5 t -141.37 132.88 26.91 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 101.129 -3.656 . . . . 0.0 101.129 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.5 161.04 40.04 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -87.88 114.16 24.23 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 172.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.11 170.8 2.63 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 125.07 1.348 . . . . 0.0 107.463 -165.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.549 ' HB3' ' CD2' ' A' ' 39' ' ' PHE 0.279 44.7 t60 -141.04 130.74 24.16 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 123.82 1.771 . . . . 0.0 106.531 169.662 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.594 HG11 HG21 ' A' ' 108' ' ' VAL . 55.4 t -125.23 97.93 4.76 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 C-N-CA 128.625 2.77 . . . . 0.0 103.943 -166.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . 0.303 8.3 mt-30 -142.94 173.64 4.38 Favored Pre-proline 0 C--N 1.374 1.653 0 O-C-N 119.688 -1.882 . . . . 0.0 113.344 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.501 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 55.3 Cg_exo -61.4 157.08 42.67 Favored 'Trans proline' 0 CA--C 1.561 1.826 1 C-N-CA 126.416 4.744 . . . . 0.0 118.308 178.421 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.258 14.0 tt -60.24 91.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.367 0 C-N-CA 129.838 3.255 . . . . 0.0 119.501 -177.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . 0.329 82.4 p 83.71 -55.15 0.14 Allowed 'General case' 0 C--N 1.365 1.259 0 O-C-N 118.485 -2.634 . . . . 0.0 113.335 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -107.16 137.66 44.8 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 126.875 2.07 . . . . 0.0 106.383 173.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -92.84 7.98 41.5 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 118.414 2.746 . . . . 0.0 118.414 -166.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . 0.41 6.1 pt-20 67.97 -38.64 0.37 Allowed 'General case' 0 C--N 1.362 1.15 0 C-N-CA 128.526 2.73 . . . . 0.0 115.921 -176.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -68.03 -17.73 64.49 Favored 'General case' 0 C--N 1.363 1.178 1 C-N-CA 134.486 5.114 . . . . 0.0 114.009 175.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -117.22 -76.43 0.57 Allowed 'General case' 0 C--N 1.358 0.943 0 C-N-CA 126.513 1.925 . . . . 0.0 107.237 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -113.72 109.82 19.19 Favored 'General case' 0 C--N 1.358 0.958 0 O-C-N 120.586 -1.321 . . . . 0.0 112.005 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.5 1.41 38.06 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 127.088 2.155 . . . . 0.0 111.194 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . 0.313 10.3 tt0 64.47 -94.51 0.04 OUTLIER 'General case' 0 C--N 1.357 0.932 0 C-N-CA 131.4 3.88 . . . . 0.0 115.278 -178.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -173.09 72.37 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 178.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.1 tm? 76.38 -52.6 0.6 Allowed 'General case' 0 C--N 1.369 1.444 0 C-N-CA 127.709 2.404 . . . . 0.0 113.66 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -91.15 101.92 14.65 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 127.782 2.433 . . . . 0.0 108.783 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.8 t -150.53 158.66 35.61 Favored Pre-proline 0 CA--C 1.507 -0.679 1 N-CA-C 100.116 -4.031 . . . . 0.0 100.116 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -70.91 124.4 10.58 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 CA-C-N 126.065 3.202 . . . . 0.0 112.014 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.9 mm -91.44 89.18 2.91 Favored 'Isoleucine or valine' 0 C--N 1.36 1.04 0 C-N-CA 124.024 0.93 . . . . 0.0 109.218 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -170.41 159.95 32.5 Favored Glycine 0 C--N 1.355 1.624 0 CA-C-O 122.344 0.969 . . . . 0.0 111.631 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 74' ' ' PRO . 14.6 m-85 -108.95 148.16 31.14 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 127.165 2.186 . . . . 0.0 112.454 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -134.9 119.96 18.69 Favored 'General case' 0 C--N 1.362 1.139 0 N-CA-C 104.324 -2.473 . . . . 0.0 104.324 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.566 HD12 HG13 ' A' ' 72' ' ' VAL . 3.8 mm -141.0 140.53 32.55 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 CA-C-N 114.434 -1.257 . . . . 0.0 112.762 -164.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.369 0.7 OUTLIER -131.31 137.76 48.94 Favored 'General case' 0 C--N 1.374 1.666 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 161.474 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.1 t -140.84 160.24 59.27 Favored Pre-proline 0 C--N 1.357 0.905 0 N-CA-C 105.28 -2.119 . . . . 0.0 105.28 175.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -66.87 131.25 25.12 Favored 'Trans proline' 0 C--N 1.365 1.416 0 C-N-CA 124.603 3.535 . . . . 0.0 109.755 162.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.432 1.6 t80 33.55 137.44 0.0 OUTLIER 'General case' 0 C--N 1.36 1.043 2 C-N-CA 135.349 5.46 . . . . 0.0 121.82 -172.986 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . 0.28 9.6 p-10 -58.88 90.22 0.01 OUTLIER 'General case' 0 C--N 1.367 1.349 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 -176.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -101.55 -124.84 0.18 Allowed 'General case' 0 C--N 1.354 0.789 0 C-N-CA 127.185 2.194 . . . . 0.0 105.678 173.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 73.3 mmt-85 -101.6 -51.84 3.36 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 119.548 -1.97 . . . . 0.0 115.562 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.442 ' HA ' ' CE1' ' A' ' 45' ' ' PHE 0.329 3.7 mp 71.01 -83.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.38 1.925 0 CA-C-N 121.718 2.054 . . . . 0.0 109.733 -174.445 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -110.04 -173.1 2.18 Favored 'General case' 0 C--N 1.348 0.524 1 C-N-CA 133.003 4.521 . . . . 0.0 109.449 173.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.8 tttm 94.91 56.71 0.0 OUTLIER 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.514 2.325 . . . . 0.0 111.656 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 67.6 tttt 80.26 38.78 0.09 Allowed 'General case' 0 C--N 1.365 1.257 0 C-N-CA 127.593 2.357 . . . . 0.0 110.768 -174.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 15.1 mmt -111.12 146.77 36.24 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 122.439 1.114 . . . . 0.0 110.028 -176.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -112.04 106.56 15.25 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 101.838 -3.393 . . . . 0.0 101.838 173.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.594 HG21 HG11 ' A' ' 72' ' ' VAL . 3.3 p -110.48 144.91 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.309 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -175.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.561 HG22 ' H ' ' A' ' 112' ' ' GLY . 30.7 mt -114.29 106.61 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.621 0 O-C-N 124.869 1.356 . . . . 0.0 107.968 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.27 83.54 4.25 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 169.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 58.66 44.24 17.68 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.083 2.153 . . . . 0.0 116.32 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.561 ' H ' HG22 ' A' ' 109' ' ' ILE . . . 92.87 23.25 25.99 Favored Glycine 0 C--N 1.36 1.862 0 C-N-CA 125.529 1.538 . . . . 0.0 116.324 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -118.69 101.83 8.4 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 125.589 1.555 . . . . 0.0 107.941 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.576 ' H ' HD13 ' A' ' 114' ' ' ILE . 0.1 OUTLIER -85.93 106.51 15.52 Favored 'Isoleucine or valine' 0 C--N 1.377 1.769 0 C-N-CA 127.488 2.315 . . . . 0.0 113.0 -177.652 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.8 t -118.76 132.89 67.31 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 O-C-N 120.201 -1.562 . . . . 0.0 109.016 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.2 m -99.96 118.37 36.22 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 125.912 1.685 . . . . 0.0 109.121 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.57 159.45 43.42 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 -174.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.41 136.57 60.41 Favored 'Isoleucine or valine' 0 C--N 1.362 1.113 0 C-N-CA 129.458 3.103 . . . . 0.0 109.07 -177.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 166.15 -168.51 39.89 Favored Glycine 0 C--N 1.366 2.207 0 N-CA-C 105.374 -3.09 . . . . 0.0 105.374 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -153.52 140.08 12.73 Favored Pre-proline 0 C--N 1.372 1.557 0 CA-C-N 121.354 2.577 . . . . 0.0 112.119 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -93.55 159.69 2.4 Favored 'Trans proline' 0 CA--C 1.549 1.268 1 C-N-CA 126.552 4.834 . . . . 0.0 114.782 176.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 17.0 m -127.88 149.16 32.58 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 128.65 2.78 . . . . 0.0 107.918 174.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.65 152.32 25.91 Favored 'General case' 0 C--N 1.361 1.1 0 O-C-N 119.07 -2.269 . . . . 0.0 112.165 176.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 43.3 tp -91.39 -36.76 13.63 Favored 'General case' 0 C--N 1.369 1.427 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 70.1 m -112.95 3.8 16.44 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 125.637 1.575 . . . . 0.0 111.007 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 86.13 -72.99 2.6 Favored Glycine 0 C--N 1.361 1.945 0 C-N-CA 125.488 1.518 . . . . 0.0 114.846 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.57 102.19 11.82 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 127.093 2.157 . . . . 0.0 111.797 -176.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . 0.317 4.0 mm-40 74.01 -173.3 0.13 Allowed 'General case' 0 C--N 1.367 1.346 0 C-N-CA 127.542 2.337 . . . . 0.0 114.248 -178.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . 0.319 24.8 tt0 77.37 -108.4 0.02 OUTLIER 'General case' 0 C--N 1.354 0.8 0 C-N-CA 127.422 2.289 . . . . 0.0 116.908 178.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 13.0 mt -125.12 143.02 40.18 Favored 'Isoleucine or valine' 0 C--N 1.36 1.052 0 CA-C-O 123.606 1.67 . . . . 0.0 113.266 -171.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 9.7 t -102.72 134.77 45.54 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 127.806 2.442 . . . . 0.0 109.202 166.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -109.41 119.0 38.11 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 129.121 2.968 . . . . 0.0 103.273 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.416 HG23 ' HB ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -128.41 125.45 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 -177.457 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -128.47 124.82 37.11 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 102.513 -3.143 . . . . 0.0 102.513 169.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.48 150.86 23.16 Favored Glycine 0 C--N 1.355 1.6 0 N-CA-C 108.035 -2.026 . . . . 0.0 108.035 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -126.88 161.19 28.85 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.152 0.981 . . . . 0.0 109.388 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -120.92 148.31 44.24 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 124.735 1.214 . . . . 0.0 108.114 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -81.07 60.84 4.4 Favored 'General case' 0 C--N 1.367 1.326 0 O-C-N 119.224 -2.172 . . . . 0.0 112.594 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -92.79 -69.73 1.13 Allowed Glycine 0 C--N 1.365 2.157 0 C-N-CA 127.565 2.507 . . . . 0.0 112.111 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -86.5 5.27 36.19 Favored 'General case' 0 C--N 1.367 1.364 0 CA-C-N 118.722 1.261 . . . . 0.0 114.143 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -78.19 56.05 1.61 Allowed 'General case' 0 C--N 1.36 1.036 0 C-N-CA 127.435 2.294 . . . . 0.0 114.05 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . 0.285 40.8 t 68.37 -56.33 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.245 0 C-N-CA 130.052 3.341 . . . . 0.0 115.56 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.538 0 C-N-CA 124.514 1.054 . . . . 0.0 110.518 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.1 tpt . . . . . 0 N--CA 1.437 -1.113 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -79.27 17.75 0.77 Allowed 'General case' 0 C--N 1.363 1.185 0 C-N-CA 126.559 1.944 . . . . 0.0 115.812 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -111.76 17.74 19.57 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 127.098 2.159 . . . . 0.0 110.198 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.347 10.8 pt-20 54.53 -41.56 0.02 OUTLIER 'General case' 0 C--N 1.367 1.347 1 C-N-CA 132.444 4.297 . . . . 0.0 120.075 174.968 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.493 ' HB3' ' CE1' ' A' ' 95' ' ' TYR . 21.5 m-85 -109.95 42.0 1.6 Allowed 'General case' 0 C--N 1.35 0.627 0 C-N-CA 128.566 2.746 . . . . 0.0 108.047 178.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -149.59 68.05 1.01 Allowed 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.575 -1.328 . . . . 0.0 107.818 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.496 ' HB2' ' CE1' ' A' ' 71' ' ' HIS . 27.4 m-20 -140.98 167.97 20.92 Favored 'General case' 0 CA--C 1.5 -0.95 0 N-CA-C 103.37 -2.826 . . . . 0.0 103.37 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.2 m -96.73 144.24 10.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 O-C-N 121.323 -0.86 . . . . 0.0 111.557 -174.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.481 HG22 ' H ' ' A' ' 111' ' ' ARG . 13.1 pt -147.62 160.72 7.91 Favored 'Isoleucine or valine' 0 C--N 1.371 1.527 0 C-N-CA 127.071 2.148 . . . . 0.0 108.624 178.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.1 m -117.64 127.78 54.29 Favored 'General case' 0 C--N 1.385 2.12 0 C-N-CA 124.058 0.943 . . . . 0.0 111.522 -177.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.478 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 77.3 m-85 -106.4 130.0 54.29 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.766 1.226 . . . . 0.0 112.991 178.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -129.42 155.63 45.38 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 128.258 2.623 . . . . 0.0 110.547 -175.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.3 m -135.68 155.75 49.92 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 126.036 1.734 . . . . 0.0 108.416 173.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -114.92 133.92 55.59 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.619 2.368 . . . . 0.0 109.626 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.8 t -104.28 122.96 57.81 Favored 'Isoleucine or valine' 0 C--N 1.364 1.238 0 C-N-CA 126.821 2.048 . . . . 0.0 111.643 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -100.09 62.23 1.12 Allowed 'General case' 0 C--N 1.366 1.292 0 C-N-CA 129.086 2.954 . . . . 0.0 112.368 -178.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -91.11 85.27 5.85 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.701 -1.25 . . . . 0.0 112.317 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.1 p -156.43 -137.68 0.06 Allowed 'General case' 0 C--N 1.353 0.738 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -114.87 0.36 13.73 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.266 1.826 . . . . 0.0 109.312 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.79 -68.23 2.34 Favored Glycine 0 C--N 1.364 2.129 0 C-N-CA 127.589 2.518 . . . . 0.0 113.068 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -86.98 20.66 2.56 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 127.119 2.168 . . . . 0.0 113.416 -178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.62 142.46 4.81 Favored Glycine 0 C--N 1.354 1.542 0 N-CA-C 107.777 -2.129 . . . . 0.0 107.777 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.93 142.86 4.34 Favored Glycine 0 C--N 1.359 1.815 0 CA-C-N 117.613 0.707 . . . . 0.0 111.959 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -123.91 56.31 1.24 Allowed 'General case' 0 C--N 1.358 0.966 0 C-N-CA 124.95 1.3 . . . . 0.0 110.173 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.8 t -154.73 104.87 2.55 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.364 -1.46 . . . . 0.0 107.849 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -134.07 153.6 51.7 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 104.374 -2.454 . . . . 0.0 104.374 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -138.8 142.55 38.74 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -174.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -107.5 127.68 53.83 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 128.265 2.626 . . . . 0.0 108.0 175.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.48 164.16 31.8 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -89.54 146.07 24.84 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 124.361 1.065 . . . . 0.0 110.547 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -97.05 -59.81 1.71 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 123.775 0.83 . . . . 0.0 109.622 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.546 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 4.4 p90 -167.18 171.73 10.59 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 t -132.22 132.85 43.5 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 101.661 -3.459 . . . . 0.0 101.661 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.2 164.04 38.17 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -177.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -87.82 113.93 23.95 Favored 'General case' 0 C--N 1.372 1.566 0 N-CA-C 105.235 -2.135 . . . . 0.0 105.235 168.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.439 ' HB2' HG23 ' A' ' 96' ' ' THR . . . -169.26 170.5 8.54 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 104.98 -2.23 . . . . 0.0 104.98 -170.093 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.496 ' CE1' ' HB2' ' A' ' 41' ' ' ASP 0.267 0.1 OUTLIER -146.1 136.21 23.67 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 169.625 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.606 HG22 HG12 ' A' ' 94' ' ' ILE . 8.0 t -108.62 101.54 12.7 Favored 'Isoleucine or valine' 0 C--N 1.365 1.263 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 -176.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -112.85 132.55 22.25 Favored Pre-proline 0 C--N 1.36 1.039 0 O-C-N 118.136 -2.852 . . . . 0.0 112.342 -170.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.04 128.76 13.41 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 122.799 2.333 . . . . 0.0 111.936 172.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.9 mt -145.73 -61.99 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.84 -18.1 0.23 Allowed 'General case' 0 C--N 1.357 0.929 0 C-N-CA 129.852 3.261 . . . . 0.0 119.677 170.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.38 64.43 0.01 OUTLIER 'General case' 0 C--N 1.35 0.587 1 C-N-CA 132.243 4.217 . . . . 0.0 118.999 -174.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -96.33 -10.05 28.7 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 129.072 2.949 . . . . 0.0 110.276 176.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 82.42 108.58 0.06 Allowed 'General case' 0 C--N 1.368 1.412 0 C-N-CA 128.731 2.812 . . . . 0.0 115.712 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -95.89 7.43 46.38 Favored 'General case' 0 C--N 1.366 1.284 0 O-C-N 120.155 -1.591 . . . . 0.0 112.963 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 33.8 t80 124.53 -37.17 0.01 OUTLIER 'General case' 0 C--N 1.358 0.938 1 C-N-CA 132.956 4.503 . . . . 0.0 105.777 -175.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -99.13 125.15 44.6 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 127.188 2.195 . . . . 0.0 111.702 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.33 -11.84 42.2 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 125.916 1.686 . . . . 0.0 113.269 -176.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -91.78 141.75 28.33 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 126.066 1.746 . . . . 0.0 110.785 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -100.37 157.42 16.64 Favored 'General case' 0 C--N 1.359 0.981 0 O-C-N 120.863 -1.148 . . . . 0.0 109.732 176.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.4 mt -119.38 51.28 1.16 Allowed 'General case' 0 C--N 1.359 0.979 0 C-N-CA 125.64 1.576 . . . . 0.0 110.214 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 69.18 -52.17 0.59 Allowed 'General case' 0 C--N 1.358 0.956 0 N-CA-C 119.236 3.05 . . . . 0.0 119.236 176.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.2 m -78.73 131.71 66.81 Favored Pre-proline 0 C--N 1.363 1.184 0 C-N-CA 128.171 2.589 . . . . 0.0 111.764 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.97 155.17 53.14 Favored 'Trans proline' 0 C--N 1.366 1.48 0 C-N-CA 125.075 3.85 . . . . 0.0 114.886 -175.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 40.0 mm -114.13 -20.19 6.24 Favored 'Isoleucine or valine' 0 C--N 1.358 0.937 0 C-N-CA 124.601 1.16 . . . . 0.0 108.935 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.51 -176.94 38.08 Favored Glycine 0 CA--C 1.479 -2.212 0 O-C-N 118.837 -2.415 . . . . 0.0 111.42 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.406 ' CD1' HG12 ' A' ' 72' ' ' VAL . 16.5 m-85 -123.09 126.86 47.87 Favored 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 125.101 1.36 . . . . 0.0 111.486 -178.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -109.3 119.56 39.85 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 103.219 -2.882 . . . . 0.0 103.219 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.606 HG12 HG22 ' A' ' 72' ' ' VAL . 2.7 mp -129.47 148.88 33.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 O-C-N 119.895 -1.753 . . . . 0.0 112.176 -170.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.493 ' CE1' ' HB3' ' A' ' 39' ' ' PHE 0.267 0.0 OUTLIER -129.39 139.55 51.64 Favored 'General case' 0 C--N 1.363 1.163 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 168.524 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.444 HG21 ' HB2' ' A' ' 99' ' ' ASP . 52.4 m -139.6 138.12 19.72 Favored Pre-proline 0 C--N 1.353 0.734 0 N-CA-C 101.392 -3.559 . . . . 0.0 101.392 170.106 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.54 125.04 12.26 Favored 'Trans proline' 0 C--N 1.365 1.404 0 CA-C-N 126.861 3.486 . . . . 0.0 108.202 169.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.47 ' CE1' ' HA ' ' A' ' 128' ' ' GLN 0.416 0.5 OUTLIER 34.99 17.58 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.583 2 C-N-CA 135.516 5.526 . . . . 0.0 122.006 -170.702 . . . . . . . . 5 4 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.444 ' HB2' HG21 ' A' ' 96' ' ' THR . 56.5 m-20 -103.54 128.58 50.74 Favored 'General case' 0 C--N 1.36 1.05 0 O-C-N 119.567 -1.958 . . . . 0.0 109.936 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -110.31 23.0 14.85 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 126.011 1.724 . . . . 0.0 113.327 -174.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.546 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 36.3 mmt180 -94.45 -50.08 5.38 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 116.691 2.108 . . . . 0.0 116.691 -171.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.456 HD13 HG13 ' A' ' 133' ' ' ILE . 4.1 mp -0.9 -71.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.379 1.862 1 C-N-CA 132.57 4.348 . . . . 0.0 121.372 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -124.59 112.1 16.43 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 126.317 1.847 . . . . 0.0 106.767 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 80.4 tttt 178.22 56.03 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.268 62.8 mttp 73.37 50.79 0.13 Allowed 'General case' 0 C--N 1.364 1.198 0 C-N-CA 128.635 2.774 . . . . 0.0 111.901 -175.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 23.5 ptp -160.81 -172.03 3.33 Favored 'General case' 0 C--N 1.361 1.102 0 O-C-N 121.989 -0.444 . . . . 0.0 111.913 -174.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -137.08 139.7 41.48 Favored 'General case' 0 C--N 1.362 1.138 0 CA-C-O 123.952 1.834 . . . . 0.0 115.684 -174.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.436 HG11 HG21 ' A' ' 72' ' ' VAL . 7.6 p -115.25 137.22 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-O 123.411 1.577 . . . . 0.0 109.082 176.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.1 tt -102.43 105.82 18.79 Favored 'Isoleucine or valine' 0 C--N 1.364 1.204 0 N-CA-C 101.036 -3.69 . . . . 0.0 101.036 163.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -96.82 106.78 19.15 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 129.555 3.142 . . . . 0.0 105.399 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.481 ' H ' HG22 ' A' ' 43' ' ' ILE . 2.4 tpm_? 45.21 32.99 1.05 Allowed 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 118.449 2.759 . . . . 0.0 118.449 178.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.24 4.71 64.29 Favored Glycine 0 C--N 1.367 2.281 0 C-N-CA 127.622 2.535 . . . . 0.0 116.54 -171.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -110.16 118.42 36.32 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 119.986 1.893 . . . . 0.0 109.139 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 10.7 tt -92.61 106.47 17.88 Favored 'Isoleucine or valine' 0 C--N 1.365 1.262 0 CA-C-O 123.709 1.718 . . . . 0.0 111.417 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.99 164.08 36.25 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 C-N-CA 129.379 3.072 . . . . 0.0 113.569 -173.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . 0.68 44.7 p 120.85 -118.77 0.0 OUTLIER 'General case' 0 C--N 1.376 1.752 1 N-CA-C 122.94 4.422 . . . . 0.0 122.94 161.701 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . 0.605 2.7 m-85 90.59 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.355 0.824 0 C-N-CA 129.378 3.071 . . . . 0.0 118.597 -175.074 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 10.9 mm -96.52 108.62 21.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 CA-C-N 122.606 2.457 . . . . 0.0 115.24 -175.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.62 174.85 21.6 Favored Glycine 0 C--N 1.368 2.354 0 C-N-CA 125.22 1.39 . . . . 0.0 114.079 173.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -135.01 134.54 21.8 Favored Pre-proline 0 C--N 1.371 1.521 0 C-N-CA 126.877 2.071 . . . . 0.0 112.62 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -91.4 141.43 2.77 Favored 'Trans proline' 0 C--N 1.367 1.548 0 C-N-CA 124.858 3.705 . . . . 0.0 116.835 -176.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.1 t -132.01 144.26 37.71 Favored 'Isoleucine or valine' 0 C--N 1.376 1.735 0 C-N-CA 127.811 2.444 . . . . 0.0 107.878 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.12 108.14 19.74 Favored 'General case' 0 C--N 1.366 1.304 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 174.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.24 -28.54 63.21 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 125.78 1.632 . . . . 0.0 115.178 -167.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.4 t -112.41 33.74 4.73 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 127.142 2.177 . . . . 0.0 109.025 174.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 61.23 -56.21 0.02 OUTLIER Glycine 0 C--N 1.366 2.218 0 N-CA-C 121.646 3.418 . . . . 0.0 121.646 173.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.6 mt -101.94 -68.42 0.82 Allowed 'General case' 0 C--N 1.356 0.89 0 C-N-CA 126.316 1.847 . . . . 0.0 112.981 -174.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.47 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -143.39 175.1 10.17 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 120.913 -1.117 . . . . 0.0 109.617 -178.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . 0.371 14.7 tp10 94.61 -77.87 0.0 OUTLIER 'General case' 0 C--N 1.359 1.018 0 C-N-CA 128.652 2.781 . . . . 0.0 115.877 178.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.4 mm -106.47 125.51 62.26 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 O-C-N 119.385 -2.072 . . . . 0.0 112.871 -177.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 78.7 m -106.82 135.9 47.58 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 125.309 1.443 . . . . 0.0 108.015 171.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -121.29 129.26 53.03 Favored 'General case' 0 C--N 1.371 1.537 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 174.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.456 HG13 HD13 ' A' ' 102' ' ' ILE . 45.6 mm -117.05 137.98 49.21 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -128.32 130.42 47.78 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 172.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.96 161.63 28.47 Favored Glycine 0 C--N 1.357 1.736 0 N-CA-C 107.639 -2.184 . . . . 0.0 107.639 174.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -144.97 165.13 29.03 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.545 1.673 . . . . 0.0 111.721 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -118.55 119.45 34.56 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 124.74 1.216 . . . . 0.0 110.639 -178.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 79.89 110.32 0.07 Allowed 'General case' 0 C--N 1.368 1.403 0 C-N-CA 128.061 2.544 . . . . 0.0 113.939 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 123.79 -45.25 1.2 Allowed Glycine 0 C--N 1.364 2.102 0 O-C-N 120.962 -1.086 . . . . 0.0 111.783 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -78.41 56.74 1.8 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 116.942 2.201 . . . . 0.0 116.942 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -140.81 47.88 1.73 Allowed 'General case' 0 C--N 1.351 0.668 0 C-N-CA 126.142 1.777 . . . . 0.0 107.323 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.2 m -79.66 61.75 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.861 0 C-N-CA 127.804 2.442 . . . . 0.0 114.318 -178.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 1.808 0 C-N-CA 126.223 1.868 . . . . 0.0 111.482 179.966 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.0 ptt? . . . . . 0 N--CA 1.443 -0.807 0 CA-C-O 121.778 0.799 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -158.94 154.83 26.54 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.467 ' H ' ' HB3' ' A' ' 69' ' ' ALA . 65.8 mm-40 -134.03 -80.23 0.46 Allowed 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.244 1.418 . . . . 0.0 107.701 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -160.96 152.79 19.69 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . 0.332 9.0 t80 112.5 -174.13 0.0 OUTLIER 'General case' 0 C--N 1.366 1.314 0 C-N-CA 129.85 3.26 . . . . 0.0 114.165 172.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -74.48 -41.7 60.3 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 130.627 3.571 . . . . 0.0 118.398 -173.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -123.86 151.05 43.89 Favored 'General case' 0 C--N 1.361 1.084 0 O-C-N 120.802 -1.187 . . . . 0.0 113.262 -174.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.5 t -97.37 115.69 37.78 Favored 'Isoleucine or valine' 0 C--N 1.376 1.749 0 C-N-CA 127.357 2.263 . . . . 0.0 104.985 174.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.445 ' CG2' HH12 ' A' ' 101' ' ' ARG 0.254 24.3 mt -111.77 166.83 5.79 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 O-C-N 120.15 -1.594 . . . . 0.0 109.898 -171.359 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.5 m -122.08 106.9 11.6 Favored 'General case' 0 C--N 1.372 1.546 0 O-C-N 119.92 -1.738 . . . . 0.0 113.133 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -82.06 139.22 34.59 Favored 'General case' 0 C--N 1.37 1.469 0 O-C-N 120.602 -1.311 . . . . 0.0 113.571 165.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -131.68 148.83 52.62 Favored 'General case' 0 C--N 1.381 1.974 0 C-N-CA 127.456 2.303 . . . . 0.0 109.432 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.3 t -121.93 166.14 14.88 Favored 'General case' 0 C--N 1.363 1.174 0 O-C-N 119.802 -1.811 . . . . 0.0 110.39 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -102.84 117.78 35.38 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 126.592 1.957 . . . . 0.0 109.18 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -141.48 147.02 22.53 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 C-N-CA 124.186 0.994 . . . . 0.0 110.77 -173.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -82.79 148.43 27.81 Favored 'General case' 0 C--N 1.365 1.274 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -153.15 165.98 33.93 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 128.063 2.545 . . . . 0.0 108.202 -177.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.6 m -108.65 104.13 13.37 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.948 1.299 . . . . 0.0 110.798 176.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -84.33 -22.59 30.55 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 127.373 2.269 . . . . 0.0 110.85 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.13 161.58 29.43 Favored Glycine 0 C--N 1.356 1.69 0 C-N-CA 127.924 2.678 . . . . 0.0 108.113 174.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -74.1 71.83 1.65 Allowed 'General case' 0 C--N 1.359 0.984 0 C-N-CA 128.274 2.63 . . . . 0.0 115.185 -176.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.82 6.66 18.83 Favored Glycine 0 C--N 1.358 1.795 0 C-N-CA 126.061 1.791 . . . . 0.0 111.303 -174.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -115.44 82.99 0.32 Allowed Glycine 0 C--N 1.358 1.802 0 C-N-CA 127.542 2.496 . . . . 0.0 108.524 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -100.57 139.75 35.81 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -174.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.8 p -122.33 160.76 24.69 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 127.16 2.184 . . . . 0.0 108.199 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -113.22 127.38 56.15 Favored 'General case' 0 C--N 1.365 1.239 0 N-CA-C 103.119 -2.919 . . . . 0.0 103.119 170.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -122.09 156.04 34.43 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.832 -1.167 . . . . 0.0 110.393 -173.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -89.9 112.31 23.64 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 127.612 2.365 . . . . 0.0 109.31 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.4 t -124.06 147.65 28.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 C-N-CA 126.486 1.914 . . . . 0.0 107.533 -173.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -57.36 127.39 31.77 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 128.443 2.697 . . . . 0.0 113.031 177.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -99.3 -59.31 1.75 Allowed 'General case' 0 C--N 1.359 0.99 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.449 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 41.8 p90 -163.42 164.87 24.43 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 t -126.88 132.8 50.84 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.72 ' HB3' ' HE ' ' A' ' 101' ' ' ARG . . . -156.72 165.55 35.92 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.66 -176.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.467 ' HB3' ' H ' ' A' ' 37' ' ' GLU . . . -88.8 139.55 30.35 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 124.87 1.268 . . . . 0.0 111.93 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.51 ' HB2' ' CD ' ' A' ' 101' ' ' ARG . . . -172.93 170.73 4.44 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-O 122.503 1.144 . . . . 0.0 108.394 -172.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -103.06 107.17 17.87 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 103.885 -2.635 . . . . 0.0 103.885 166.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.45 HG21 HG21 ' A' ' 108' ' ' VAL . 3.1 t -116.18 106.44 20.36 Favored 'Isoleucine or valine' 0 C--N 1.365 1.264 1 N-CA-C 96.75 -5.278 . . . . 0.0 96.75 175.299 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -130.75 162.71 53.46 Favored Pre-proline 0 C--N 1.361 1.105 0 O-C-N 119.186 -2.197 . . . . 0.0 111.105 -171.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.2 144.28 46.09 Favored 'Trans proline' 0 C--N 1.358 1.053 0 C-N-CA 124.375 3.384 . . . . 0.0 111.931 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.1 tt -69.4 137.79 23.51 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 C-N-CA 127.562 2.345 . . . . 0.0 115.338 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 76.6 p -142.94 -119.03 0.1 Allowed 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.611 -1.306 . . . . 0.0 111.387 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -167.66 178.61 5.24 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.881 1.672 . . . . 0.0 108.74 -176.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.67 -20.23 61.28 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 127.674 2.389 . . . . 0.0 117.161 -177.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -96.4 117.66 31.31 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 125.949 1.7 . . . . 0.0 108.649 177.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -94.92 7.36 46.27 Favored 'General case' 0 C--N 1.365 1.255 0 O-C-N 120.319 -1.488 . . . . 0.0 112.184 -175.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -79.17 47.02 0.75 Allowed 'General case' 0 C--N 1.356 0.864 0 C-N-CA 128.129 2.572 . . . . 0.0 112.189 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -118.21 26.51 9.58 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 127.232 2.213 . . . . 0.0 110.49 -176.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.08 -13.18 61.68 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 117.792 2.515 . . . . 0.0 117.792 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -145.43 30.59 1.11 Allowed 'General case' 0 C--N 1.355 0.842 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.02 171.36 7.59 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 126.939 2.095 . . . . 0.0 109.669 -174.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.0 mt -97.49 72.04 2.34 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 119.738 -1.851 . . . . 0.0 112.728 -175.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -94.94 97.85 10.28 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 125.309 1.443 . . . . 0.0 111.127 177.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.8 p -110.54 140.77 22.87 Favored Pre-proline 0 C--N 1.357 0.93 0 C-N-CA 125.787 1.635 . . . . 0.0 108.112 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -75.53 130.42 12.73 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 124.784 3.656 . . . . 0.0 114.612 -176.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.2 tp -116.93 1.37 8.04 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 C-N-CA 126.203 1.801 . . . . 0.0 109.303 177.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 179.91 -175.84 47.02 Favored Glycine 0 C--N 1.361 1.947 0 O-C-N 119.985 -1.697 . . . . 0.0 109.608 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -118.15 156.93 27.86 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 124.989 2.328 . . . . 0.0 107.59 174.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -125.26 120.92 32.57 Favored 'General case' 0 N--CA 1.428 -1.56 0 C-N-CA 130.717 3.607 . . . . 0.0 103.889 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.541 HG23 HG23 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -125.66 141.02 46.73 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 O-C-N 119.528 -1.982 . . . . 0.0 109.372 176.285 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -129.16 139.75 51.8 Favored 'General case' 0 C--N 1.363 1.184 0 N-CA-C 104.385 -2.45 . . . . 0.0 104.385 165.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.94 159.04 68.63 Favored Pre-proline 0 C--O 1.242 0.686 1 N-CA-C 97.857 -4.868 . . . . 0.0 97.857 171.759 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -67.24 124.84 12.64 Favored 'Trans proline' 0 C--N 1.362 1.268 0 C-N-CA 123.729 2.953 . . . . 0.0 109.179 172.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.495 ' H ' ' HA ' ' A' ' 130' ' ' ILE 0.329 0.1 OUTLIER 51.26 -166.99 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.508 1 C-N-CA 133.322 4.649 . . . . 0.0 116.804 -171.133 . . . . . . . . 5 4 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -80.96 90.65 5.96 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 129.37 3.068 . . . . 0.0 107.498 174.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -137.91 -67.7 0.47 Allowed 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 121.028 -1.045 . . . . 0.0 108.499 -172.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.72 ' HE ' ' HB3' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -97.78 -53.73 3.32 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -171.696 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -6.89 109.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.246 1 N-CA-C 124.154 4.872 . . . . 0.0 124.154 170.678 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -105.59 163.94 12.28 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 119.996 -1.69 . . . . 0.0 113.6 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -112.35 -106.69 0.37 Allowed 'General case' 0 C--N 1.364 1.227 0 C-N-CA 127.227 2.211 . . . . 0.0 110.845 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -79.44 86.91 5.09 Favored 'General case' 0 C--N 1.369 1.417 0 O-C-N 119.288 -2.133 . . . . 0.0 109.357 176.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.45 -169.09 1.5 Allowed 'General case' 0 C--N 1.356 0.852 0 CA-C-N 113.868 -1.515 . . . . 0.0 106.954 -162.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -139.92 164.41 30.06 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 123.107 1.432 . . . . 0.0 109.567 173.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.45 HG21 HG21 ' A' ' 72' ' ' VAL . 13.0 p -137.87 141.31 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.222 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 178.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.1 mm -109.4 105.4 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 N-CA-C 102.151 -3.277 . . . . 0.0 102.151 170.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -96.35 102.57 14.37 Favored 'General case' 0 N--CA 1.434 -1.273 0 C-N-CA 129.025 2.93 . . . . 0.0 108.464 175.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 52.47 32.84 12.06 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.942 2.497 . . . . 0.0 117.262 177.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.04 -1.04 69.9 Favored Glycine 0 C--N 1.362 2.01 0 C-N-CA 126.812 2.149 . . . . 0.0 116.652 -170.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -92.25 125.1 36.77 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 120.062 1.931 . . . . 0.0 111.662 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 21.0 pt -80.51 106.72 12.03 Favored 'Isoleucine or valine' 0 C--N 1.367 1.331 0 C-N-CA 128.676 2.79 . . . . 0.0 112.175 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 43.3 t -128.08 102.42 8.55 Favored 'Isoleucine or valine' 0 C--N 1.36 1.035 0 C-N-CA 125.371 1.469 . . . . 0.0 108.666 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 45.1 m -94.52 128.43 41.11 Favored 'General case' 0 C--N 1.379 1.855 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 173.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -141.56 158.98 43.15 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -176.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 6.1 pt -124.62 122.69 64.35 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 CA-C-N 114.366 -1.288 . . . . 0.0 107.722 173.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -170.93 -166.86 30.44 Favored Glycine 0 C--N 1.362 1.973 0 N-CA-C 110.174 -1.171 . . . . 0.0 110.174 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -154.79 146.23 16.78 Favored Pre-proline 0 C--N 1.363 1.166 0 C-N-CA 125.579 1.551 . . . . 0.0 108.673 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -90.03 158.41 4.87 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 124.148 3.232 . . . . 0.0 113.826 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.4 p -132.23 136.89 55.69 Favored 'Isoleucine or valine' 0 C--N 1.363 1.17 0 C-N-CA 125.91 1.684 . . . . 0.0 109.232 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -101.34 149.29 24.19 Favored 'General case' 0 C--N 1.364 1.216 0 C-N-CA 125.706 1.602 . . . . 0.0 112.156 177.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 28.0 mt -84.33 -2.99 57.97 Favored 'General case' 0 C--N 1.365 1.241 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . 0.394 91.6 p 114.4 -123.24 0.0 OUTLIER 'General case' 0 C--N 1.359 0.997 0 C-N-CA 131.535 3.934 . . . . 0.0 111.353 176.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -124.69 164.33 18.22 Favored Glycine 0 C--N 1.353 1.495 0 N-CA-C 104.375 -3.49 . . . . 0.0 104.375 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 44.2 tp 80.02 -53.75 0.38 Allowed 'General case' 0 C--N 1.362 1.13 0 C-N-CA 126.606 1.962 . . . . 0.0 111.019 -175.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -85.52 91.87 8.36 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 127.638 2.375 . . . . 0.0 108.052 172.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -78.39 66.13 3.87 Favored 'General case' 0 C--N 1.357 0.93 0 O-C-N 120.07 -1.644 . . . . 0.0 112.442 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.495 ' HA ' ' H ' ' A' ' 98' ' ' TYR . 20.4 tt -150.39 119.06 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-O 123.048 1.404 . . . . 0.0 112.208 -178.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.286 67.9 p -99.37 141.88 31.58 Favored 'General case' 0 C--N 1.368 1.412 0 CA-C-O 123.753 1.739 . . . . 0.0 109.053 161.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -120.63 137.59 54.36 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 111.177 -2.738 . . . . 0.0 105.017 171.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.541 HG23 HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -132.81 144.29 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-O 122.995 1.379 . . . . 0.0 108.225 178.257 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.28 136.43 51.01 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 127.361 2.265 . . . . 0.0 105.41 173.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.28 161.17 28.31 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 106.525 -2.63 . . . . 0.0 106.525 172.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -126.25 158.07 36.66 Favored 'General case' 0 C--N 1.36 1.051 0 CA-C-N 119.417 1.609 . . . . 0.0 111.733 -175.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -119.24 113.83 21.47 Favored 'General case' 0 C--N 1.355 0.847 0 N-CA-C 104.97 -2.233 . . . . 0.0 104.97 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -163.52 -52.25 0.04 OUTLIER 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 -176.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -127.05 73.64 0.44 Allowed Glycine 0 C--N 1.357 1.713 0 C-N-CA 126.307 1.908 . . . . 0.0 110.074 177.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -150.8 -78.01 0.13 Allowed 'General case' 0 C--N 1.35 0.597 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 65.34 -82.05 0.03 OUTLIER 'General case' 0 C--N 1.363 1.156 0 C-N-CA 128.768 2.827 . . . . 0.0 115.825 176.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 29.9 m -111.23 -15.12 10.27 Favored 'Isoleucine or valine' 0 C--N 1.348 0.534 0 C-N-CA 126.137 1.775 . . . . 0.0 110.956 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 2.229 0 C-N-CA 125.174 1.369 . . . . 0.0 111.405 179.629 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 N--CA 1.441 -0.912 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -129.23 150.37 50.64 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 125.1 1.36 . . . . 0.0 109.497 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -93.43 60.17 3.07 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 125.278 1.431 . . . . 0.0 111.267 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.312 47.6 mm-40 80.97 -81.99 0.02 OUTLIER 'General case' 0 C--N 1.361 1.075 0 C-N-CA 129.51 3.124 . . . . 0.0 114.661 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -100.07 -71.52 0.7 Allowed 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.568 1.147 . . . . 0.0 110.983 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 58.49 40.87 23.48 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 128.982 2.913 . . . . 0.0 116.932 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -105.9 159.78 15.77 Favored 'General case' 0 C--N 1.366 1.285 0 O-C-N 120.627 -1.296 . . . . 0.0 111.026 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 m -97.18 119.77 45.66 Favored 'Isoleucine or valine' 0 C--N 1.366 1.302 0 CA-C-O 124.611 2.148 . . . . 0.0 112.367 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.28 163.47 20.62 Favored 'Isoleucine or valine' 0 C--N 1.36 1.043 0 C-N-CA 126.984 2.114 . . . . 0.0 112.465 -173.012 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.5 m -119.17 112.89 20.07 Favored 'General case' 0 C--N 1.379 1.851 0 C-N-CA 123.866 0.866 . . . . 0.0 110.527 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.473 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 86.8 m-85 -102.16 128.25 48.74 Favored 'General case' 0 C--N 1.36 1.05 0 O-C-N 121.501 -0.749 . . . . 0.0 111.192 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -121.69 164.88 16.63 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 127.329 2.252 . . . . 0.0 111.48 -176.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.8 t -147.68 164.31 33.94 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.009 1.723 . . . . 0.0 108.914 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -121.98 129.99 52.94 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 125.908 1.683 . . . . 0.0 110.231 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.2 t -107.37 136.61 41.97 Favored 'Isoleucine or valine' 0 C--N 1.361 1.104 0 C-N-CA 126.57 1.948 . . . . 0.0 108.628 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -153.82 178.1 10.28 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -107.87 1.36 22.68 Favored 'General case' 0 C--N 1.371 1.515 0 C-N-CA 127.883 2.473 . . . . 0.0 111.168 -176.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 p 120.92 -74.5 0.0 OUTLIER 'General case' 0 C--N 1.357 0.919 1 C-N-CA 132.845 4.458 . . . . 0.0 102.137 -169.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.4 m120 65.53 -128.92 0.29 Allowed 'General case' 0 C--N 1.362 1.144 0 C-N-CA 131.243 3.817 . . . . 0.0 115.704 173.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.14 -65.39 3.8 Favored Glycine 0 C--N 1.364 2.12 0 C-N-CA 125.999 1.762 . . . . 0.0 114.866 177.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -92.04 -10.55 38.73 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.274 2.23 . . . . 0.0 111.547 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -121.96 89.86 0.44 Allowed Glycine 0 C--N 1.353 1.518 0 N-CA-C 107.023 -2.431 . . . . 0.0 107.023 174.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.73 63.04 2.36 Favored Glycine 0 C--N 1.363 2.076 0 C-N-CA 125.183 1.373 . . . . 0.0 115.353 -177.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -87.09 -76.97 0.34 Allowed 'General case' 0 C--N 1.355 0.839 0 C-N-CA 126.381 1.872 . . . . 0.0 113.429 -177.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.3 t -154.48 139.85 17.69 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.279 -1.513 . . . . 0.0 109.591 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -134.8 161.41 35.28 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 127.147 2.179 . . . . 0.0 106.092 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -146.89 134.98 21.55 Favored 'General case' 0 C--N 1.366 1.3 0 CA-C-N 118.586 0.63 . . . . 0.0 112.457 177.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -98.83 125.03 44.1 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.591 2.356 . . . . 0.0 108.675 174.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 m -137.28 169.76 18.94 Favored 'Isoleucine or valine' 0 C--N 1.363 1.158 0 C-N-CA 125.343 1.457 . . . . 0.0 108.68 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -95.55 144.29 26.14 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 124.326 1.05 . . . . 0.0 109.6 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -91.18 -53.66 4.27 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 125.171 1.388 . . . . 0.0 110.424 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.473 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 3.2 p90 -167.94 172.88 8.59 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 105.998 -1.853 . . . . 0.0 105.998 -178.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.5 p -132.82 132.33 42.05 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 100.295 -3.965 . . . . 0.0 100.295 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.28 164.83 36.06 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 -174.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.94 114.42 21.21 Favored 'General case' 0 C--N 1.371 1.518 0 N-CA-C 106.344 -1.724 . . . . 0.0 106.344 167.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -166.57 142.09 4.49 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 121.29 -0.881 . . . . 0.0 110.346 -164.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -116.31 120.31 38.5 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.249 -1.532 . . . . 0.0 110.92 175.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.664 HG12 ' CD2' ' A' ' 92' ' ' TYR . 59.2 t -115.76 104.38 16.66 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 N-CA-C 102.686 -3.079 . . . . 0.0 102.686 173.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -119.5 152.19 52.64 Favored Pre-proline 0 C--N 1.366 1.31 0 CA-C-N 122.371 2.351 . . . . 0.0 112.695 -176.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.6 147.69 51.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.467 3.444 . . . . 0.0 115.302 -177.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -89.52 -7.66 10.82 Favored 'Isoleucine or valine' 0 C--N 1.367 1.348 0 C-N-CA 127.558 2.343 . . . . 0.0 112.635 -178.379 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.9 t -165.13 161.37 19.51 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 119.601 -1.937 . . . . 0.0 105.925 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -110.71 7.02 22.03 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 127.618 2.367 . . . . 0.0 111.883 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -45.73 -18.05 0.04 OUTLIER 'General case' 0 C--N 1.364 1.2 1 N-CA-C 123.215 4.524 . . . . 0.0 123.215 -172.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -99.09 95.04 6.84 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 121.198 1.817 . . . . 0.0 111.93 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -92.75 7.08 45.14 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.527 1.931 . . . . 0.0 114.133 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -129.77 71.61 1.45 Allowed 'General case' 0 C--N 1.353 0.719 0 C-N-CA 126.925 2.09 . . . . 0.0 106.498 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 93.28 104.78 0.02 OUTLIER 'General case' 0 C--N 1.366 1.318 0 C-N-CA 129.851 3.26 . . . . 0.0 106.812 -176.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.53 -46.54 57.42 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 118.753 2.871 . . . . 0.0 118.753 -172.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -168.36 107.04 0.49 Allowed 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.959 1.704 . . . . 0.0 107.421 176.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -150.35 156.41 41.46 Favored 'General case' 0 C--N 1.359 0.978 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.8 tp -57.52 41.27 0.0 OUTLIER 'General case' 0 C--N 1.373 1.606 1 C-N-CA 133.512 4.725 . . . . 0.0 118.284 -174.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -138.92 -36.19 0.55 Allowed 'General case' 0 N--CA 1.432 -1.331 0 C-N-CA 130.689 3.595 . . . . 0.0 107.605 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 51.7 m -159.23 107.35 1.53 Allowed Pre-proline 0 C--N 1.37 1.495 0 O-C-N 118.878 -2.389 . . . . 0.0 110.389 177.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -80.63 156.39 21.38 Favored 'Trans proline' 0 C--N 1.368 1.564 1 C-N-CA 127.077 5.184 . . . . 0.0 113.13 170.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 16.4 mt -86.93 -104.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.368 1.381 0 CA-C-N 121.296 1.862 . . . . 0.0 110.183 175.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -163.05 145.07 10.15 Favored Glycine 0 C--N 1.351 1.392 0 N-CA-C 104.974 -3.251 . . . . 0.0 104.974 175.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.664 ' CD2' HG12 ' A' ' 72' ' ' VAL . 17.2 m-85 -119.03 137.44 53.54 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -177.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -115.86 122.95 46.9 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.364 1.466 . . . . 0.0 107.675 174.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.522 HG13 ' H ' ' A' ' 133' ' ' ILE . 0.6 OUTLIER -115.08 143.57 24.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 O-C-N 119.992 -1.692 . . . . 0.0 111.221 -174.136 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.41 115.41 20.24 Favored 'General case' 0 C--N 1.366 1.322 0 N-CA-C 101.461 -3.533 . . . . 0.0 101.461 171.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.7 m -141.45 148.31 50.02 Favored Pre-proline 0 C--N 1.355 0.84 0 O-C-N 118.56 -2.588 . . . . 0.0 107.86 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.83 129.35 17.37 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 124.619 3.546 . . . . 0.0 111.344 171.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.383 1.6 t80 20.69 17.41 0.0 OUTLIER 'General case' 0 C--N 1.365 1.247 2 C-N-CA 136.04 5.736 . . . . 0.0 122.935 -172.843 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -100.69 134.68 43.29 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 126.422 1.889 . . . . 0.0 111.391 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.56 23.39 9.61 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.646 1.978 . . . . 0.0 108.501 177.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.4 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 92.2 mtt180 -97.19 -3.46 40.87 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.986 2.115 . . . . 0.0 114.554 -172.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.46 ' H ' HD12 ' A' ' 102' ' ' ILE . 4.4 mp -58.68 -72.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 130.192 3.397 . . . . 0.0 114.539 -178.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.54 ' HB2' HD11 ' A' ' 133' ' ' ILE . 18.4 m-20 -130.37 166.49 20.32 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 177.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.1 tptm 131.59 55.92 0.0 OUTLIER 'General case' 0 C--N 1.352 0.694 0 C-N-CA 130.946 3.698 . . . . 0.0 105.481 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.275 72.7 tttt 89.95 50.74 0.01 OUTLIER 'General case' 0 C--N 1.365 1.248 0 C-N-CA 128.541 2.736 . . . . 0.0 114.582 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.4 ptp -155.78 175.23 14.19 Favored 'General case' 0 C--N 1.373 1.587 0 O-C-N 120.643 -1.286 . . . . 0.0 113.997 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -104.76 123.28 47.38 Favored 'General case' 0 C--N 1.378 1.82 0 O-C-N 119.831 -1.793 . . . . 0.0 112.433 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' A' ' 115' ' ' VAL . 54.2 t -115.83 124.85 72.65 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 O-C-N 120.327 -1.483 . . . . 0.0 111.946 -172.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 35.1 mm -112.98 107.06 22.02 Favored 'Isoleucine or valine' 0 C--N 1.378 1.81 0 CA-C-O 122.087 0.946 . . . . 0.0 111.428 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -95.66 91.53 6.16 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 129.728 3.211 . . . . 0.0 109.28 171.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 48.06 36.08 5.97 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 128.761 2.824 . . . . 0.0 116.881 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.74 -1.66 71.84 Favored Glycine 0 C--N 1.359 1.831 0 C-N-CA 125.907 1.718 . . . . 0.0 117.001 -170.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.38 127.95 38.05 Favored 'General case' 0 C--N 1.367 1.333 0 CA-C-N 120.278 2.039 . . . . 0.0 110.276 177.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.0 mm -84.04 120.8 35.58 Favored 'Isoleucine or valine' 0 C--N 1.366 1.291 0 C-N-CA 126.578 1.951 . . . . 0.0 113.908 -175.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' A' ' 108' ' ' VAL . 59.9 t -115.77 128.32 73.06 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 N-CA-C 104.651 -2.351 . . . . 0.0 104.651 174.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.4 m -110.2 109.67 20.24 Favored 'General case' 0 C--N 1.371 1.537 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -168.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . 0.362 2.6 m-85 64.41 -67.56 0.11 Allowed 'General case' 0 C--N 1.363 1.172 1 N-CA-C 122.933 4.42 . . . . 0.0 122.933 162.739 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 23.7 pt -77.96 137.55 21.97 Favored 'Isoleucine or valine' 0 C--N 1.362 1.126 0 N-CA-C 119.388 3.107 . . . . 0.0 119.388 -170.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.97 151.59 7.13 Favored Glycine 0 C--N 1.36 1.909 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 170.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -114.56 139.5 24.07 Favored Pre-proline 0 C--N 1.366 1.283 0 CA-C-N 119.929 1.865 . . . . 0.0 111.983 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -88.17 144.24 5.92 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 125.101 3.867 . . . . 0.0 116.297 -176.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.0 t -132.49 135.84 57.07 Favored 'Isoleucine or valine' 0 C--N 1.37 1.481 0 C-N-CA 128.45 2.7 . . . . 0.0 109.458 174.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -100.22 99.32 9.99 Favored 'General case' 0 C--N 1.367 1.34 0 N-CA-C 104.549 -2.389 . . . . 0.0 104.549 171.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.5 tp -82.68 -11.94 57.98 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 126.113 1.765 . . . . 0.0 113.069 -174.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 50.4 m -96.65 156.56 16.29 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 127.729 2.411 . . . . 0.0 111.296 174.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -110.86 37.4 3.75 Favored Glycine 0 C--N 1.365 2.187 0 C-N-CA 125.144 1.354 . . . . 0.0 111.528 169.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 27.0 tp -166.72 175.45 7.86 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 128.379 2.671 . . . . 0.0 104.169 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.45 54.56 3.16 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 128.066 2.546 . . . . 0.0 113.805 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -107.44 -107.11 0.33 Allowed 'General case' 0 C--N 1.356 0.863 0 C-N-CA 127.615 2.366 . . . . 0.0 112.699 -177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.7 tp -97.99 131.01 45.89 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 C-N-CA 125.793 1.637 . . . . 0.0 113.552 -176.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.1 m -123.13 141.39 52.02 Favored 'General case' 0 C--N 1.365 1.247 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -124.91 138.48 54.24 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 126.358 1.863 . . . . 0.0 111.231 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.54 HD11 ' HB2' ' A' ' 103' ' ' ASP 0.277 0.7 OUTLIER -126.87 135.33 63.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 O-C-N 119.423 -2.048 . . . . 0.0 105.903 174.992 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -129.31 145.12 51.43 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 120.609 -1.307 . . . . 0.0 114.115 -174.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.59 149.41 21.55 Favored Glycine 0 C--N 1.367 2.268 0 N-CA-C 107.783 -2.127 . . . . 0.0 107.783 165.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -149.28 152.6 36.18 Favored 'General case' 0 C--N 1.362 1.125 0 CA-C-N 120.074 1.937 . . . . 0.0 113.171 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -126.52 120.1 28.8 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 104.314 -2.476 . . . . 0.0 104.314 176.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -146.74 143.58 28.79 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -125.1 31.75 4.18 Favored Glycine 0 C--N 1.358 1.785 0 C-N-CA 124.514 1.054 . . . . 0.0 111.854 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -135.47 77.9 1.7 Allowed 'General case' 0 C--N 1.35 0.604 0 C-N-CA 124.984 1.314 . . . . 0.0 108.384 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -85.8 61.92 7.14 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 125.951 1.7 . . . . 0.0 112.589 -177.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.03 136.79 54.89 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 C-N-CA 125.727 1.611 . . . . 0.0 107.669 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.429 0 N-CA-C 106.851 -2.499 . . . . 0.0 106.851 -179.214 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.6 tpp . . . . . 0 N--CA 1.435 -1.201 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -73.56 50.26 0.32 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 128.477 2.711 . . . . 0.0 115.14 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -116.39 29.66 7.82 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.58 2.352 . . . . 0.0 110.052 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -89.51 75.82 7.51 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 125.406 1.483 . . . . 0.0 111.003 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -123.17 127.41 48.62 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 125.992 1.717 . . . . 0.0 108.429 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -148.79 42.79 0.97 Allowed 'General case' 0 C--N 1.349 0.55 0 CA-C-O 122.906 1.336 . . . . 0.0 108.957 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -91.04 171.53 9.2 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 125.384 1.473 . . . . 0.0 109.501 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -96.55 133.18 38.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-O 124.242 1.972 . . . . 0.0 112.606 -173.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.8 mt -128.56 142.16 44.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.085 0 C-N-CA 128.359 2.664 . . . . 0.0 105.445 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.6 113.69 26.51 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 124.601 1.161 . . . . 0.0 109.447 -177.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -101.24 123.98 46.22 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -172.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -121.27 157.15 30.96 Favored 'General case' 0 C--N 1.38 1.896 0 C-N-CA 126.891 2.076 . . . . 0.0 112.195 -177.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.1 p -134.3 154.75 51.13 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 126.464 1.906 . . . . 0.0 112.74 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -114.83 117.36 30.49 Favored 'General case' 0 C--N 1.363 1.188 0 N-CA-C 103.119 -2.919 . . . . 0.0 103.119 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 57.5 t -116.84 131.74 68.61 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 O-C-N 121.124 -0.985 . . . . 0.0 109.788 -167.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -83.37 134.7 34.89 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 125.876 1.67 . . . . 0.0 113.322 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . 0.251 65.5 mt-30 77.85 68.63 0.05 OUTLIER 'General case' 0 C--N 1.36 1.03 0 C-N-CA 126.817 2.047 . . . . 0.0 113.846 174.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.9 m -141.99 55.04 1.47 Allowed 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -109.32 27.6 9.37 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 126.728 2.011 . . . . 0.0 108.799 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.36 -56.34 1.57 Allowed Glycine 0 C--N 1.363 2.039 0 N-CA-C 119.551 2.58 . . . . 0.0 119.551 172.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -104.8 -42.91 5.24 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 125.829 1.652 . . . . 0.0 111.884 -177.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.99 156.78 18.82 Favored Glycine 0 C--N 1.35 1.35 0 N-CA-C 104.482 -3.447 . . . . 0.0 104.482 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 136.0 144.35 4.87 Favored Glycine 0 C--N 1.355 1.636 0 CA-C-N 119.378 1.589 . . . . 0.0 110.346 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -117.46 54.16 0.9 Allowed 'General case' 0 C--N 1.36 1.042 0 C-N-CA 124.9 1.28 . . . . 0.0 114.403 -173.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 45.2 p -98.78 173.19 7.0 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 124.806 1.242 . . . . 0.0 108.639 175.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -113.89 126.22 54.92 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -117.9 143.87 45.95 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 125.79 1.636 . . . . 0.0 109.284 -176.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -87.81 132.96 33.98 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.595 2.358 . . . . 0.0 112.505 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.3 p -143.41 159.18 17.13 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -84.0 139.84 32.28 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.642 1.577 . . . . 0.0 108.221 173.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -92.28 -51.74 5.01 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 124.304 1.042 . . . . 0.0 108.864 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -172.08 175.35 3.79 Favored 'General case' 0 C--N 1.361 1.08 0 N-CA-C 105.796 -1.928 . . . . 0.0 105.796 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.6 t -136.05 132.81 36.69 Favored 'General case' 0 CA--C 1.512 -0.504 1 N-CA-C 99.772 -4.159 . . . . 0.0 99.772 176.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.46 164.27 37.62 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -176.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.57 113.75 22.73 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 169.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -163.43 169.18 19.27 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.19 -1.368 . . . . 0.0 108.29 -167.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -129.45 117.25 20.23 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 125.403 1.481 . . . . 0.0 111.008 174.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.446 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 93.2 t -109.4 99.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.376 1.734 0 C-N-CA 129.037 2.935 . . . . 0.0 105.816 172.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -118.63 135.87 23.87 Favored Pre-proline 0 C--N 1.368 1.404 0 C-N-CA 128.096 2.558 . . . . 0.0 111.347 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.57 155.47 59.22 Favored 'Trans proline' 0 CA--C 1.555 1.557 0 C-N-CA 125.088 3.859 . . . . 0.0 116.154 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.367 1.5 mt 73.45 -141.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.376 1.732 0 C-N-CA 128.691 2.797 . . . . 0.0 111.998 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . 0.311 91.8 p 167.0 -148.45 0.0 OUTLIER 'General case' 0 C--N 1.365 1.268 0 C-N-CA 126.347 1.859 . . . . 0.0 108.698 174.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -90.07 -24.09 21.25 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.803 2.441 . . . . 0.0 111.059 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -65.33 -3.42 4.1 Favored 'General case' 0 C--N 1.365 1.264 0 N-CA-C 118.319 2.711 . . . . 0.0 118.319 -175.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -78.96 -31.35 45.0 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 126.706 2.003 . . . . 0.0 110.881 172.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -76.06 -14.22 60.2 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 129.289 3.036 . . . . 0.0 113.11 177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -86.35 -22.83 26.47 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 126.91 2.084 . . . . 0.0 110.23 173.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . 0.293 17.5 ttmm 73.92 52.6 0.11 Allowed 'General case' 0 C--N 1.365 1.282 0 C-N-CA 128.986 2.914 . . . . 0.0 114.626 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.24 25.96 4.03 Favored 'General case' 0 C--N 1.362 1.123 0 O-C-N 120.135 -1.603 . . . . 0.0 112.296 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -74.61 59.16 0.82 Allowed 'General case' 0 C--N 1.363 1.179 0 C-N-CA 129.613 3.165 . . . . 0.0 115.696 -175.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -102.68 137.36 41.0 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 125.781 1.632 . . . . 0.0 109.328 178.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.3 tp -71.33 135.85 47.55 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 126.986 2.114 . . . . 0.0 113.645 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 86.18 75.16 0.01 OUTLIER 'General case' 0 C--N 1.365 1.272 0 C-N-CA 127.49 2.316 . . . . 0.0 113.501 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.1 t -159.14 148.59 14.71 Favored Pre-proline 0 C--N 1.359 1.018 0 N-CA-C 103.712 -2.699 . . . . 0.0 103.712 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -72.39 155.95 55.03 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 125.157 3.905 . . . . 0.0 113.288 173.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 tt -41.97 154.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.247 1 C-N-CA 133.906 4.882 . . . . 0.0 118.783 -179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.463 ' H ' ' HB3' ' A' ' 137' ' ' GLU . . . -126.12 140.78 12.34 Favored Glycine 0 C--N 1.363 2.058 0 O-C-N 118.795 -2.44 . . . . 0.0 113.794 -177.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -130.28 148.98 52.16 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -107.14 118.55 37.0 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 100.867 -3.753 . . . . 0.0 100.867 174.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.446 ' CD1' ' HA ' ' A' ' 72' ' ' VAL . 49.5 mm -130.33 137.48 56.21 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.437 0 CA-C-N 114.328 -1.305 . . . . 0.0 109.47 -170.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -127.56 117.86 22.86 Favored 'General case' 0 C--N 1.358 0.948 1 N-CA-C 99.962 -4.088 . . . . 0.0 99.962 164.106 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.9 m -138.31 122.67 11.74 Favored Pre-proline 0 C--N 1.357 0.896 0 N-CA-C 104.641 -2.355 . . . . 0.0 104.641 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -62.76 124.87 14.87 Favored 'Trans proline' 0 C--N 1.386 2.515 0 C-N-CA 124.467 3.445 . . . . 0.0 110.425 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.414 5.3 t80 20.29 26.88 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.276 2 C-N-CA 132.974 4.51 . . . . 0.0 121.858 -168.532 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -103.71 126.26 50.73 Favored 'General case' 0 C--N 1.361 1.102 0 O-C-N 119.776 -1.828 . . . . 0.0 108.378 174.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.57 9.83 40.84 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 126.925 2.09 . . . . 0.0 109.465 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -102.44 0.72 34.25 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 120.187 3.403 . . . . 0.0 120.187 -170.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 pp -63.38 -46.46 95.33 Favored 'Isoleucine or valine' 0 C--N 1.389 2.322 0 CA-C-N 125.717 3.871 . . . . 0.0 113.685 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -133.84 113.33 12.13 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 128.042 2.537 . . . . 0.0 110.211 172.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -169.61 57.62 0.04 OUTLIER 'General case' 0 C--N 1.347 0.484 0 N-CA-C 102.586 -3.116 . . . . 0.0 102.586 175.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt 72.5 65.25 0.12 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 130.463 3.505 . . . . 0.0 110.755 -174.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.7 mmt -133.2 171.56 13.85 Favored 'General case' 0 C--N 1.363 1.17 0 CA-C-O 122.645 1.212 . . . . 0.0 112.93 -170.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -129.0 130.85 47.18 Favored 'General case' 0 C--N 1.367 1.36 0 N-CA-C 104.502 -2.407 . . . . 0.0 104.502 170.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.51 151.01 35.22 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 O-C-N 119.619 -1.925 . . . . 0.0 109.235 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.8 mt -112.16 107.79 23.85 Favored 'Isoleucine or valine' 0 C--N 1.363 1.16 0 N-CA-C 105.613 -1.995 . . . . 0.0 105.613 170.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -97.81 88.25 4.24 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 131.07 3.748 . . . . 0.0 106.527 172.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 58.78 39.9 23.63 Favored 'General case' 0 C--N 1.366 1.318 0 N-CA-C 118.286 2.698 . . . . 0.0 118.286 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.89 -9.49 75.35 Favored Glycine 0 C--N 1.358 1.757 0 C-N-CA 126.294 1.902 . . . . 0.0 114.843 -175.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -89.07 121.41 31.38 Favored 'General case' 0 C--N 1.359 1.019 0 C-N-CA 125.037 1.335 . . . . 0.0 110.212 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 24.9 pt -90.31 120.56 39.37 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 C-N-CA 126.609 1.963 . . . . 0.0 110.645 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.36 137.37 57.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 C-N-CA 127.231 2.213 . . . . 0.0 108.226 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.0 t -130.24 132.27 45.89 Favored 'General case' 0 C--N 1.365 1.277 0 N-CA-C 104.1 -2.555 . . . . 0.0 104.1 173.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.38 154.36 12.14 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -171.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 68.8 mt -81.23 -71.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.732 0 C-N-CA 125.713 1.605 . . . . 0.0 111.497 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.4 168.69 40.17 Favored Glycine 0 C--N 1.368 2.333 0 N-CA-C 119.271 2.469 . . . . 0.0 119.271 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.448 ' H ' HD13 ' A' ' 133' ' ' ILE . 24.0 t70 -162.57 79.03 1.85 Allowed Pre-proline 0 C--N 1.37 1.48 0 C-N-CA 125.086 1.354 . . . . 0.0 113.183 177.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -77.13 137.24 17.0 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 125.217 3.945 . . . . 0.0 116.097 -174.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.0 t -112.27 123.46 68.02 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 C-N-CA 126.425 1.89 . . . . 0.0 108.042 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 131' ' ' THR . 2.9 m-20 -83.28 115.68 22.08 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 126.787 2.035 . . . . 0.0 109.284 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.2 mt -91.26 -12.23 35.8 Favored 'General case' 0 C--N 1.362 1.123 0 O-C-N 120.087 -1.633 . . . . 0.0 112.722 -174.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.8 t -152.01 -162.46 1.52 Allowed 'General case' 0 C--N 1.35 0.629 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -99.43 -155.06 28.47 Favored Glycine 0 C--N 1.361 1.935 0 C-N-CA 126.423 1.963 . . . . 0.0 114.354 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 24.9 mt -56.52 122.79 12.78 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 117.434 2.383 . . . . 0.0 117.434 -176.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . 0.273 0.3 OUTLIER 85.4 -13.54 0.62 Allowed 'General case' 0 C--N 1.369 1.414 0 C-N-CA 130.494 3.518 . . . . 0.0 114.45 -177.573 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -83.78 -130.45 0.03 OUTLIER 'General case' 0 C--N 1.359 0.981 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 -175.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 46.1 mm -114.34 126.18 71.8 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 O-C-N 119.252 -2.155 . . . . 0.0 114.808 -170.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 123' ' ' ASP . 96.9 m -116.05 127.07 54.59 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 104.301 -2.481 . . . . 0.0 104.301 167.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -124.13 137.48 54.55 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 125.742 1.617 . . . . 0.0 112.028 -172.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.448 HD13 ' H ' ' A' ' 120' ' ' ASP 0.304 0.3 OUTLIER -126.07 128.92 72.19 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 O-C-N 119.687 -1.883 . . . . 0.0 107.638 176.961 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -121.88 129.75 52.82 Favored 'General case' 0 C--N 1.358 0.964 0 N-CA-C 106.714 -1.588 . . . . 0.0 106.714 178.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.14 162.5 28.38 Favored Glycine 0 C--N 1.347 1.148 0 N-CA-C 107.408 -2.277 . . . . 0.0 107.408 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.82 128.79 47.11 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 125.782 1.633 . . . . 0.0 108.453 174.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.463 ' HB3' ' H ' ' A' ' 91' ' ' GLY . 10.6 pt-20 -99.77 144.39 28.9 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 125.336 1.454 . . . . 0.0 112.634 175.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -76.84 69.46 3.18 Favored 'General case' 0 C--N 1.367 1.341 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 154.66 -138.16 6.02 Favored Glycine 0 C--N 1.354 1.576 0 N-CA-C 106.762 -2.535 . . . . 0.0 106.762 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . 73.67 -19.16 0.35 Allowed 'General case' 0 C--N 1.359 1.003 0 N-CA-C 119.188 3.033 . . . . 0.0 119.188 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -157.46 161.86 38.91 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.2 t -84.1 65.46 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.207 0 C-N-CA 127.243 2.217 . . . . 0.0 111.64 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.662 0 C-N-CA 125.639 1.59 . . . . 0.0 111.173 -179.725 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 94.2 mmm . . . . . 0 N--CA 1.439 -1.02 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -93.64 56.49 2.38 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 127.357 2.263 . . . . 0.0 110.188 177.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -167.58 -178.2 3.84 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 128.043 2.537 . . . . 0.0 106.795 -173.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -73.74 43.48 0.15 Allowed 'General case' 0 C--N 1.367 1.364 0 C-N-CA 128.592 2.757 . . . . 0.0 118.118 -175.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . 0.251 67.5 t80 91.58 -91.98 0.01 OUTLIER 'General case' 0 C--N 1.364 1.229 0 C-N-CA 130.615 3.566 . . . . 0.0 107.976 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . 0.305 70.1 mtm180 53.78 43.73 30.58 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 130.089 3.356 . . . . 0.0 118.715 175.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -89.16 159.6 17.41 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 126.362 1.865 . . . . 0.0 109.019 175.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.17 115.33 36.53 Favored 'Isoleucine or valine' 0 C--N 1.359 0.983 0 CA-C-O 123.445 1.593 . . . . 0.0 110.057 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.434 HG12 ' HA ' ' A' ' 110' ' ' TYR 0.262 1.0 OUTLIER -118.03 171.36 6.44 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 C-N-CA 127.189 2.195 . . . . 0.0 110.821 -172.899 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.4 m -109.23 117.09 33.21 Favored 'General case' 0 C--N 1.381 1.951 0 CA-C-N 120.948 1.703 . . . . 0.0 112.409 -176.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 3.1 m-85 -104.46 133.57 49.12 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 125.387 1.475 . . . . 0.0 111.161 -176.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -124.19 160.05 28.75 Favored 'General case' 0 C--N 1.384 2.084 0 C-N-CA 129.482 3.113 . . . . 0.0 109.845 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 t -142.42 161.07 38.99 Favored 'General case' 0 C--N 1.368 1.377 0 O-C-N 120.253 -1.529 . . . . 0.0 112.322 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -112.77 127.38 56.14 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.14 157.17 43.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.487 ' HG3' ' H ' ' A' ' 51' ' ' GLN . 8.7 pt-20 -88.5 -103.69 0.08 Allowed 'General case' 0 C--N 1.361 1.093 0 C-N-CA 124.75 1.22 . . . . 0.0 110.424 173.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.487 ' H ' ' HG3' ' A' ' 50' ' ' GLU . 32.2 tt0 97.49 152.2 0.02 OUTLIER 'General case' 0 C--N 1.363 1.161 0 C-N-CA 129.649 3.18 . . . . 0.0 110.076 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.3 t -90.83 57.16 3.46 Favored 'General case' 0 C--N 1.37 1.462 0 O-C-N 119.955 -1.716 . . . . 0.0 110.997 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -132.84 150.02 52.2 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 127.629 2.372 . . . . 0.0 106.63 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.42 -137.43 6.81 Favored Glycine 0 CA--C 1.49 -1.529 0 N-CA-C 104.867 -3.293 . . . . 0.0 104.867 -177.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -88.8 -50.69 6.07 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 124.595 1.158 . . . . 0.0 111.75 177.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.54 77.6 0.15 Allowed Glycine 0 C--N 1.35 1.354 0 O-C-N 120.821 -1.174 . . . . 0.0 111.595 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.31 -85.64 0.15 Allowed Glycine 0 C--N 1.353 1.502 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -164.82 152.17 11.31 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 125.396 1.478 . . . . 0.0 108.421 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.8 p -146.63 161.26 40.92 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 102.373 -3.195 . . . . 0.0 102.373 176.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -113.16 144.81 42.02 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -176.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -132.29 156.62 46.23 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 126.427 1.891 . . . . 0.0 109.955 -175.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -114.06 131.8 56.25 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 127.423 2.289 . . . . 0.0 106.97 176.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.6 m -141.09 159.17 23.08 Favored 'Isoleucine or valine' 0 C--N 1.365 1.257 0 C-N-CA 125.27 1.428 . . . . 0.0 108.546 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -96.09 129.35 43.41 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 127.859 2.464 . . . . 0.0 107.058 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -91.65 -63.13 1.29 Allowed 'General case' 0 C--N 1.358 0.95 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -171.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -163.28 176.81 9.55 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -171.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.2 t -126.67 132.62 51.15 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 104.481 -2.414 . . . . 0.0 104.481 169.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.26 165.06 36.92 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 -174.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.91 114.74 20.72 Favored 'General case' 0 C--N 1.365 1.279 0 CA-C-O 124.499 2.095 . . . . 0.0 113.667 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -163.54 169.69 18.37 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.197 -1.365 . . . . 0.0 108.272 -175.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -122.63 106.77 11.27 Favored 'General case' 0 N--CA 1.442 -0.836 1 N-CA-C 100.009 -4.071 . . . . 0.0 100.009 169.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.616 HG11 HG11 ' A' ' 108' ' ' VAL . 0.2 OUTLIER -115.42 96.4 4.57 Favored 'Isoleucine or valine' 0 C--N 1.365 1.247 0 N-CA-C 101.101 -3.666 . . . . 0.0 101.101 -172.859 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -121.65 151.11 56.63 Favored Pre-proline 0 C--N 1.375 1.709 0 CA-C-N 121.962 2.164 . . . . 0.0 115.158 -170.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -71.52 152.82 60.3 Favored 'Trans proline' 0 C--N 1.367 1.528 0 C-N-CA 124.453 3.435 . . . . 0.0 114.272 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.0 tt -84.18 32.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.368 1.374 0 CA-C-O 124.831 2.253 . . . . 0.0 114.354 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 52.1 p -128.36 95.98 4.3 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 128.845 2.858 . . . . 0.0 107.31 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -79.23 -121.66 0.01 OUTLIER 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.315 1.846 . . . . 0.0 113.189 -177.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -100.09 -5.67 27.54 Favored 'General case' 0 C--N 1.361 1.094 0 O-C-N 119.561 -1.962 . . . . 0.0 111.271 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -98.93 67.98 1.69 Allowed 'General case' 0 C--N 1.356 0.887 0 C-N-CA 127.405 2.282 . . . . 0.0 114.329 -174.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -80.3 -20.29 44.68 Favored 'General case' 0 C--N 1.363 1.18 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 24.8 t80 79.13 -176.83 0.09 Allowed 'General case' 0 C--N 1.364 1.214 0 C-N-CA 127.631 2.372 . . . . 0.0 113.494 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -94.74 -74.58 0.54 Allowed 'General case' 0 C--N 1.357 0.92 0 C-N-CA 125.239 1.416 . . . . 0.0 112.167 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.57 30.05 0.06 Allowed 'General case' 0 C--N 1.362 1.135 0 N-CA-C 117.773 2.508 . . . . 0.0 117.773 -176.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -145.84 149.74 34.86 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 104.458 -2.423 . . . . 0.0 104.458 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -136.12 72.11 1.43 Allowed 'General case' 0 C--N 1.355 0.827 0 CA-C-O 123.184 1.468 . . . . 0.0 108.358 175.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.9 mt -87.93 72.6 9.28 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.936 1.695 . . . . 0.0 110.154 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -72.85 -47.34 47.03 Favored 'General case' 0 C--N 1.369 1.432 0 C-N-CA 127.974 2.509 . . . . 0.0 112.776 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.6 p -99.19 108.1 48.04 Favored Pre-proline 0 C--N 1.358 0.976 0 CA-C-O 116.976 -1.488 . . . . 0.0 108.082 173.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -79.19 155.36 25.56 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 124.816 3.677 . . . . 0.0 112.229 178.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.6 pt -114.96 39.21 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.737 0 O-C-N 120.747 -1.221 . . . . 0.0 110.062 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.3 145.5 8.9 Favored Glycine 0 CA--C 1.487 -1.662 0 O-C-N 120.569 -1.332 . . . . 0.0 113.072 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.44 ' HE2' HG12 ' A' ' 72' ' ' VAL . 1.1 m-30 -116.36 162.02 18.17 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 126.689 1.995 . . . . 0.0 113.359 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -132.52 119.39 20.49 Favored 'General case' 0 C--N 1.364 1.208 0 N-CA-C 103.141 -2.911 . . . . 0.0 103.141 163.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.511 ' HB ' ' HA ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -142.47 134.56 26.11 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 O-C-N 119.726 -1.859 . . . . 0.0 110.287 -167.795 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -131.66 150.34 52.18 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 124.952 1.301 . . . . 0.0 110.175 173.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 t -141.13 153.7 67.1 Favored Pre-proline 0 C--N 1.351 0.658 0 N-CA-C 104.137 -2.542 . . . . 0.0 104.137 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.42 126.08 10.08 Favored 'Trans proline' 0 CA--C 1.55 1.28 0 CA-C-N 125.73 3.082 . . . . 0.0 110.311 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.402 0.3 OUTLIER 19.64 20.42 0.0 OUTLIER 'General case' 0 C--N 1.367 1.357 2 C-N-CA 137.03 6.132 . . . . 0.0 122.939 -175.658 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -104.44 150.6 24.41 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 128.446 2.698 . . . . 0.0 109.802 174.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -110.24 64.33 0.61 Allowed 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.348 -1.47 . . . . 0.0 107.459 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -76.58 -49.91 15.17 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.656 2.382 . . . . 0.0 111.265 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.441 HG21 HD11 ' A' ' 94' ' ' ILE . 1.0 OUTLIER -78.04 131.39 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.2 0 C-N-CA 130.849 3.66 . . . . 0.0 112.983 174.908 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -135.44 -171.86 2.94 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -166.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -97.61 128.58 44.43 Favored 'General case' 0 C--N 1.365 1.251 0 C-N-CA 130.222 3.409 . . . . 0.0 105.248 170.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 79.32 53.87 0.02 OUTLIER 'General case' 0 C--N 1.362 1.151 0 C-N-CA 128.986 2.914 . . . . 0.0 109.085 -173.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.1 tpt -124.77 149.63 47.14 Favored 'General case' 0 C--N 1.364 1.233 0 CA-C-O 124.301 2.001 . . . . 0.0 113.09 -171.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -136.27 126.18 25.87 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 102.557 -3.127 . . . . 0.0 102.557 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.616 HG11 HG11 ' A' ' 72' ' ' VAL . 97.1 t -129.27 140.34 49.43 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 O-C-N 119.389 -2.07 . . . . 0.0 105.671 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 51.3 mt -99.17 104.28 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 N-CA-C 103.661 -2.718 . . . . 0.0 103.661 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.434 ' HA ' HG12 ' A' ' 43' ' ' ILE . 9.9 t80 -96.68 93.54 6.78 Favored 'General case' 0 N--CA 1.433 -1.299 0 C-N-CA 129.135 2.974 . . . . 0.0 110.365 175.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . 0.257 21.9 ttm180 52.35 42.92 31.23 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 128.73 2.812 . . . . 0.0 116.89 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.74 -6.41 77.07 Favored Glycine 0 C--N 1.36 1.884 0 C-N-CA 126.353 1.93 . . . . 0.0 116.5 -175.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -94.28 126.5 39.57 Favored 'General case' 0 C--N 1.36 1.053 0 CA-C-N 119.895 1.847 . . . . 0.0 110.013 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.8 mm -94.72 106.8 18.59 Favored 'Isoleucine or valine' 0 C--N 1.371 1.522 0 C-N-CA 124.142 0.977 . . . . 0.0 109.313 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.23 148.22 27.22 Favored 'Isoleucine or valine' 0 C--N 1.367 1.335 0 C-N-CA 125.547 1.539 . . . . 0.0 112.27 -176.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.3 p -111.93 142.25 44.57 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 128.853 2.861 . . . . 0.0 115.724 -176.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -156.16 157.19 35.52 Favored 'General case' 0 C--N 1.368 1.378 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 176.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.3 pt -140.64 102.64 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.37 1.481 0 C-N-CA 125.714 1.606 . . . . 0.0 106.792 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -147.31 161.45 28.49 Favored Glycine 0 C--N 1.359 1.842 0 O-C-N 119.178 -2.201 . . . . 0.0 114.826 -172.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -107.32 138.83 20.02 Favored Pre-proline 0 C--N 1.357 0.917 0 C-N-CA 126.471 1.908 . . . . 0.0 110.309 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -85.7 154.65 10.27 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 123.958 3.105 . . . . 0.0 115.693 -172.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 18.2 t -130.42 139.52 51.14 Favored 'Isoleucine or valine' 0 C--N 1.367 1.33 0 C-N-CA 128.291 2.636 . . . . 0.0 109.112 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -101.61 128.15 48.02 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 125.943 1.697 . . . . 0.0 109.849 174.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -82.34 -3.7 55.9 Favored 'General case' 0 C--N 1.364 1.21 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -174.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.6 t 176.91 -171.01 0.08 Allowed 'General case' 0 C--N 1.348 0.513 0 N-CA-C 102.502 -3.147 . . . . 0.0 102.502 174.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -133.98 52.72 0.81 Allowed Glycine 0 C--N 1.357 1.696 0 CA-C-N 120.052 1.297 . . . . 0.0 113.847 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -137.28 24.86 2.96 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 121.389 -1.065 . . . . 0.0 111.263 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 74.67 56.07 0.08 Allowed 'General case' 0 C--N 1.366 1.317 0 C-N-CA 127.625 2.37 . . . . 0.0 112.548 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -104.82 -112.27 0.25 Allowed 'General case' 0 C--N 1.355 0.846 0 C-N-CA 125.125 1.37 . . . . 0.0 111.519 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.8 mt -111.57 138.45 40.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 O-C-N 120.506 -1.371 . . . . 0.0 111.347 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.96 126.86 54.37 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 128.495 2.718 . . . . 0.0 105.747 167.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 74.0 ttt-85 -124.3 138.54 54.38 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 127.07 2.148 . . . . 0.0 108.972 -177.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.476 HG23 HG23 ' A' ' 94' ' ' ILE . 16.9 tt -128.29 141.16 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 174.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -128.05 118.3 23.22 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 103.431 -2.803 . . . . 0.0 103.431 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.39 132.51 4.49 Favored Glycine 0 C--N 1.362 1.978 0 C-N-CA 123.912 0.768 . . . . 0.0 112.325 -174.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -165.6 164.34 19.22 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 118.064 0.932 . . . . 0.0 110.74 -173.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.418 ' HG3' ' H ' ' A' ' 139' ' ' GLY . 14.6 tp10 -113.63 138.23 50.48 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 125.679 1.592 . . . . 0.0 108.255 173.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -124.79 22.38 8.17 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 126.456 1.902 . . . . 0.0 109.755 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.418 ' H ' ' HG3' ' A' ' 137' ' ' GLU . . . 82.06 -62.81 4.5 Favored Glycine 0 C--N 1.363 2.038 0 C-N-CA 126.772 2.13 . . . . 0.0 114.706 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -162.42 -178.47 6.3 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 102.619 -3.104 . . . . 0.0 102.619 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -143.99 137.72 27.91 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . 0.436 4.7 p 61.01 -56.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.045 0 C-N-CA 129.421 3.088 . . . . 0.0 118.279 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.616 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -178.842 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.435 -1.215 0 CA-C-O 121.9 0.857 . . . . 0.0 109.799 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -106.72 139.18 41.57 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.578 1.551 . . . . 0.0 109.871 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -119.42 -95.31 0.49 Allowed 'General case' 0 C--N 1.361 1.07 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 174.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -137.29 108.78 6.93 Favored 'General case' 0 CA--C 1.5 -0.964 1 N-CA-C 99.463 -4.273 . . . . 0.0 99.463 173.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.413 ' HA ' ' CG ' ' A' ' 71' ' ' HIS . 35.3 m-85 -132.38 74.7 1.59 Allowed 'General case' 0 C--N 1.358 0.966 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -175.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -150.87 43.38 0.81 Allowed 'General case' 0 C--N 1.357 0.908 0 CA-C-O 122.946 1.355 . . . . 0.0 110.112 -177.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -105.91 172.56 6.74 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 125.767 1.627 . . . . 0.0 109.973 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 m -116.95 127.14 74.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 126.363 1.865 . . . . 0.0 106.238 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.0 pt -139.43 167.91 19.19 Favored 'Isoleucine or valine' 0 C--N 1.369 1.453 0 O-C-N 120.707 -1.246 . . . . 0.0 113.021 -174.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 m -114.55 116.72 29.25 Favored 'General case' 0 C--N 1.377 1.793 0 C-N-CA 125.864 1.666 . . . . 0.0 111.965 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 92.4 m-85 -98.64 135.61 39.91 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 124.51 1.124 . . . . 0.0 111.794 177.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -136.66 171.28 14.72 Favored 'General case' 0 C--N 1.376 1.738 0 C-N-CA 126.351 1.86 . . . . 0.0 112.83 -173.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 t -136.97 141.44 42.6 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 125.889 1.675 . . . . 0.0 107.987 172.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -100.94 124.64 46.94 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 171.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 75.2 t -111.09 128.27 67.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 C-N-CA 126.781 2.033 . . . . 0.0 106.121 -173.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -144.21 -53.54 0.33 Allowed 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 105.326 -2.102 . . . . 0.0 105.326 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -101.86 161.25 13.81 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 126.596 1.958 . . . . 0.0 110.24 173.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.7 m -179.03 154.81 0.71 Allowed 'General case' 0 C--N 1.355 0.836 0 C-N-CA 129.996 3.318 . . . . 0.0 102.745 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -78.83 57.97 2.23 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 -174.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.71 -25.56 1.8 Allowed Glycine 0 C--N 1.356 1.668 0 C-N-CA 123.714 0.673 . . . . 0.0 111.982 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -128.31 60.25 1.49 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 123.055 1.407 . . . . 0.0 108.688 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -149.58 146.22 15.26 Favored Glycine 0 CA--C 1.489 -1.548 0 N-CA-C 107.072 -2.411 . . . . 0.0 107.072 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.74 -144.02 4.88 Favored Glycine 0 C--N 1.356 1.682 0 CA-C-N 117.899 0.85 . . . . 0.0 114.18 -176.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -100.42 55.55 0.9 Allowed 'General case' 0 C--N 1.37 1.467 0 C-N-CA 127.112 2.165 . . . . 0.0 113.5 -175.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.8 t -154.92 165.87 35.34 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 103.64 -2.726 . . . . 0.0 103.64 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -134.2 148.89 50.96 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 119.529 1.059 . . . . 0.0 109.273 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -141.62 149.87 41.25 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 125.919 1.687 . . . . 0.0 108.722 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -114.72 139.59 49.56 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 127.809 2.444 . . . . 0.0 108.423 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.4 p -141.01 153.55 20.59 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -95.03 133.19 39.08 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 126.194 1.798 . . . . 0.0 107.39 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -86.17 -53.62 4.94 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 125.483 1.513 . . . . 0.0 111.109 -174.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.404 ' CZ ' ' CD1' ' A' ' 45' ' ' PHE . 7.2 p90 -170.7 175.27 4.65 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.2 m -141.36 133.07 27.21 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 100.961 -3.718 . . . . 0.0 100.961 175.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.12 163.71 39.3 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-O 122.221 1.01 . . . . 0.0 112.324 -175.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.59 112.8 19.82 Favored 'General case' 0 C--N 1.37 1.479 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 171.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -169.45 169.86 8.66 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 123.269 1.509 . . . . 0.0 107.286 -168.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' A' ' 39' ' ' PHE . 58.0 t-80 -144.2 131.45 20.74 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 120.335 -1.478 . . . . 0.0 109.944 177.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.591 ' HA ' ' HB ' ' A' ' 94' ' ' ILE . 58.0 t -114.53 99.18 8.04 Favored 'Isoleucine or valine' 0 C--N 1.367 1.335 0 C-N-CA 128.255 2.622 . . . . 0.0 105.141 -177.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -106.03 137.37 19.35 Favored Pre-proline 0 C--N 1.357 0.9 0 C-N-CA 127.239 2.216 . . . . 0.0 110.303 -174.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -71.83 155.49 58.03 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 124.36 3.373 . . . . 0.0 114.468 -176.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.7 pt -64.01 110.3 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.221 0 O-C-N 120.615 -1.303 . . . . 0.0 113.5 176.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.6 m -72.0 62.18 0.45 Allowed 'General case' 0 C--N 1.366 1.319 0 N-CA-C 116.703 2.112 . . . . 0.0 116.703 -177.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -82.89 60.29 5.31 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 127.862 2.465 . . . . 0.0 109.68 176.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.99 -43.62 71.08 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 126.26 1.824 . . . . 0.0 115.809 -176.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 69.66 -62.46 0.42 Allowed 'General case' 0 C--N 1.36 1.028 0 C-N-CA 127.928 2.491 . . . . 0.0 115.108 -178.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -96.88 -63.79 1.1 Allowed 'General case' 0 C--N 1.362 1.14 0 C-N-CA 126.578 1.951 . . . . 0.0 112.482 177.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -158.24 -55.88 0.07 Allowed 'General case' 0 C--N 1.356 0.862 0 O-C-N 120.878 -1.139 . . . . 0.0 110.547 -176.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -87.27 145.04 26.53 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 120.505 -1.372 . . . . 0.0 113.455 -176.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.67 30.81 0.01 OUTLIER 'General case' 0 C--N 1.364 1.221 0 C-N-CA 130.782 3.633 . . . . 0.0 119.854 -177.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . 0.276 2.1 mt-30 93.08 141.75 0.03 OUTLIER 'General case' 0 C--N 1.363 1.191 0 C-N-CA 130.133 3.373 . . . . 0.0 111.137 -176.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -92.15 -0.84 57.42 Favored 'General case' 0 C--N 1.367 1.357 0 O-C-N 119.536 -1.978 . . . . 0.0 111.824 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.0 tp -127.46 91.94 3.4 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 129.158 2.983 . . . . 0.0 104.134 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.33 61.81 7.1 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 125.244 1.417 . . . . 0.0 111.961 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.0 m -104.15 108.52 60.37 Favored Pre-proline 0 C--N 1.356 0.874 0 C-N-CA 128.05 2.54 . . . . 0.0 104.683 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -79.47 123.13 5.32 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 122.846 2.364 . . . . 0.0 115.057 -169.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 38.4 pt -121.76 -22.77 3.17 Favored 'Isoleucine or valine' 0 C--N 1.358 0.973 0 C-N-CA 127.771 2.428 . . . . 0.0 112.877 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.34 142.9 11.45 Favored Glycine 0 C--N 1.366 2.249 0 CA-C-N 122.164 2.256 . . . . 0.0 112.539 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.59 ' CD2' HG12 ' A' ' 72' ' ' VAL . 10.3 m-85 -134.94 132.84 38.91 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 122.473 1.13 . . . . 0.0 110.714 -178.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -99.8 120.1 39.21 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 128.88 2.872 . . . . 0.0 104.987 174.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.591 ' HB ' ' HA ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -147.97 143.87 19.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 O-C-N 120.755 -1.216 . . . . 0.0 111.542 -171.412 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.375 2.4 p90 -132.54 148.09 52.37 Favored 'General case' 0 C--N 1.367 1.328 0 CA-C-O 121.722 0.772 . . . . 0.0 109.05 162.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.423 HG22 HG21 ' A' ' 102' ' ' ILE . 11.2 t -140.44 163.2 45.06 Favored Pre-proline 0 C--N 1.358 0.942 0 N-CA-C 104.551 -2.388 . . . . 0.0 104.551 174.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -69.39 142.8 50.59 Favored 'Trans proline' 0 CA--C 1.561 1.83 0 C-N-CA 123.228 2.619 . . . . 0.0 109.961 158.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.315 0.3 OUTLIER 10.24 19.81 0.0 OUTLIER 'General case' 0 C--N 1.356 0.857 2 C-N-CA 137.232 6.213 . . . . 0.0 125.933 -174.765 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -103.25 131.38 50.34 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 126.547 1.939 . . . . 0.0 109.841 176.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -107.37 28.28 8.26 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 126.674 1.99 . . . . 0.0 113.807 -175.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 87.8 mmt-85 -100.72 -27.7 13.22 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 120.837 -1.164 . . . . 0.0 112.948 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.568 HG22 HD11 ' A' ' 94' ' ' ILE 0.301 0.7 OUTLIER 7.35 -77.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.377 1.769 1 C-N-CA 135.928 5.691 . . . . 0.0 119.396 166.313 . . . . . . . . 5 4 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . 0.259 9.4 p-10 -132.3 113.58 13.39 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 103.86 -2.644 . . . . 0.0 103.86 159.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -142.08 -70.64 0.34 Allowed 'General case' 0 C--N 1.357 0.892 0 O-C-N 120.093 -1.63 . . . . 0.0 112.6 -173.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -173.55 53.87 0.02 OUTLIER 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.539 1.536 . . . . 0.0 107.655 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.458 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 13.3 mtt -157.7 -148.14 0.2 Allowed 'General case' 0 C--N 1.362 1.121 0 C-N-CA 124.103 0.961 . . . . 0.0 110.167 -165.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -137.69 163.67 30.73 Favored 'General case' 0 C--N 1.378 1.817 0 CA-C-O 122.739 1.257 . . . . 0.0 111.673 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.8 p -149.06 151.7 12.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 O-C-N 119.108 -2.245 . . . . 0.0 108.348 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 46.0 mt -112.54 106.24 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.189 0 N-CA-C 103.671 -2.715 . . . . 0.0 103.671 171.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -96.77 99.6 11.18 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.731 2.012 . . . . 0.0 107.632 172.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 54.36 32.62 16.77 Favored 'General case' 0 C--N 1.366 1.308 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.61 -4.19 75.82 Favored Glycine 0 C--N 1.36 1.885 0 C-N-CA 125.503 1.525 . . . . 0.0 114.803 -171.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -93.62 114.69 27.07 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 124.984 1.314 . . . . 0.0 108.5 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 16.7 pt -81.5 116.11 25.21 Favored 'Isoleucine or valine' 0 C--N 1.366 1.294 0 C-N-CA 126.937 2.095 . . . . 0.0 110.434 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 87.7 t -120.77 128.29 76.03 Favored 'Isoleucine or valine' 0 C--N 1.363 1.175 0 C-N-CA 126.865 2.066 . . . . 0.0 110.324 -172.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 p -87.22 116.91 25.63 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 131.073 3.749 . . . . 0.0 110.364 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.458 ' CE1' ' HB2' ' A' ' 106' ' ' MET 0.258 0.5 OUTLIER -125.26 150.09 47.39 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 120.824 3.639 . . . . 0.0 120.824 -172.361 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 16.8 tt -144.67 149.32 17.26 Favored 'Isoleucine or valine' 0 C--N 1.372 1.559 0 C-N-CA 130.451 3.5 . . . . 0.0 105.832 172.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 174.54 -175.67 46.82 Favored Glycine 0 C--N 1.369 2.38 0 CA-C-N 120.282 1.401 . . . . 0.0 113.163 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -143.66 120.32 6.58 Favored Pre-proline 0 C--N 1.366 1.298 0 CA-C-O 115.78 -2.057 . . . . 0.0 106.299 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -94.36 159.18 2.03 Favored 'Trans proline' 0 C--N 1.351 0.699 1 C-N-CA 125.355 4.037 . . . . 0.0 113.798 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 10.7 m -126.06 140.16 49.43 Favored 'Isoleucine or valine' 0 C--N 1.363 1.186 0 C-N-CA 125.258 1.423 . . . . 0.0 107.647 172.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -101.66 136.22 41.87 Favored 'General case' 0 C--N 1.364 1.226 0 O-C-N 120.586 -1.321 . . . . 0.0 112.971 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.37 -1.29 56.05 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 129.996 3.318 . . . . 0.0 114.15 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 t -30.89 20.2 0.0 OUTLIER 'General case' 0 C--N 1.362 1.12 2 C-N-CA 135.259 5.423 . . . . 0.0 122.981 -175.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -119.4 -30.14 1.61 Allowed Glycine 0 C--N 1.357 1.697 0 C-N-CA 128.658 3.028 . . . . 0.0 112.495 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 pp -106.18 -35.53 7.17 Favored 'General case' 0 C--N 1.364 1.201 0 CA-C-N 118.916 1.358 . . . . 0.0 113.892 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -167.54 153.76 7.82 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -79.39 58.75 2.7 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 127.41 2.284 . . . . 0.0 114.814 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 13.0 tt -113.41 127.91 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-O 123.389 1.566 . . . . 0.0 110.881 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 p -107.66 119.24 38.89 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 127.096 2.158 . . . . 0.0 105.568 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -124.32 137.61 54.47 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 126.531 1.932 . . . . 0.0 107.222 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 14.8 tt -140.66 143.67 28.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 CA-C-O 122.599 1.19 . . . . 0.0 112.277 -176.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -129.09 113.38 15.05 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 103.854 -2.647 . . . . 0.0 103.854 167.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.57 147.77 18.93 Favored Glycine 0 C--N 1.365 2.14 0 CA-C-N 119.482 1.037 . . . . 0.0 111.468 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -150.6 156.84 42.17 Favored 'General case' 0 C--N 1.36 1.026 0 O-C-N 120.478 -1.601 . . . . 0.0 111.441 -178.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -92.64 109.27 20.68 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 126.785 2.034 . . . . 0.0 111.879 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -146.41 -135.98 0.08 Allowed 'General case' 0 C--N 1.359 0.984 0 C-N-CA 126.525 1.93 . . . . 0.0 106.219 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -141.38 24.36 2.51 Favored Glycine 0 C--N 1.363 2.032 0 O-C-N 120.932 -1.105 . . . . 0.0 112.947 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -175.36 173.36 2.53 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 103.29 -2.856 . . . . 0.0 103.29 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -116.97 26.93 9.45 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 119.899 1.227 . . . . 0.0 111.438 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . 0.264 4.1 t 58.6 57.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.277 0 C-N-CA 129.304 3.042 . . . . 0.0 115.511 177.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.629 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 -179.042 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 N--CA 1.44 -0.975 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -143.74 -81.22 0.18 Allowed 'General case' 0 C--N 1.348 0.541 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -85.28 69.57 10.75 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 125.627 1.571 . . . . 0.0 110.435 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -94.18 162.53 13.82 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 126.119 1.767 . . . . 0.0 114.846 -175.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -162.7 -177.67 5.71 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 177.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -96.06 -18.04 20.49 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.615 1.566 . . . . 0.0 113.488 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -116.61 132.55 56.65 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 124.93 1.292 . . . . 0.0 111.213 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 m -111.01 116.5 52.68 Favored 'Isoleucine or valine' 0 C--N 1.37 1.459 0 C-N-CA 128.526 2.73 . . . . 0.0 107.735 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.92 168.29 17.83 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 C-N-CA 126.008 1.723 . . . . 0.0 112.555 -175.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.9 m -116.64 125.53 51.91 Favored 'General case' 0 C--N 1.38 1.894 0 C-N-CA 124.365 1.066 . . . . 0.0 110.715 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -110.04 125.36 52.85 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 125.074 1.35 . . . . 0.0 110.296 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -133.25 164.9 26.03 Favored 'General case' 0 C--N 1.374 1.65 0 C-N-CA 126.251 1.82 . . . . 0.0 110.722 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.8 p -141.56 159.81 41.45 Favored 'General case' 0 C--N 1.368 1.403 0 CA-C-O 122.931 1.348 . . . . 0.0 113.652 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -119.2 116.12 25.64 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 100.498 -3.889 . . . . 0.0 100.498 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.46 148.18 29.75 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.776 0 O-C-N 121.1 -1.0 . . . . 0.0 111.13 -168.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.05 176.19 7.2 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 126.901 2.08 . . . . 0.0 112.043 -176.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -109.44 -24.09 11.2 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 128.346 2.658 . . . . 0.0 109.079 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -163.57 -169.99 2.09 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 104.817 -2.29 . . . . 0.0 104.817 175.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -54.09 -44.9 71.61 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 128.186 2.594 . . . . 0.0 116.011 -177.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.87 -26.01 0.64 Allowed Glycine 0 CA--C 1.488 -1.622 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 176.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 62.38 -83.66 0.02 OUTLIER 'General case' 0 C--N 1.37 1.463 0 C-N-CA 128.8 2.84 . . . . 0.0 113.664 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -149.08 18.36 1.2 Allowed Glycine 0 C--N 1.349 1.253 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 170.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.63 -51.33 0.5 Allowed Glycine 0 CA--C 1.49 -1.524 0 O-C-N 121.282 -1.129 . . . . 0.0 110.576 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . 0.271 4.0 mppt? 74.48 62.12 0.07 Allowed 'General case' 0 C--N 1.364 1.234 0 C-N-CA 128.035 2.534 . . . . 0.0 110.304 -177.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.6 m -97.53 103.71 15.67 Favored 'General case' 0 C--N 1.358 0.969 0 CA-C-O 121.947 0.88 . . . . 0.0 111.909 -174.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -125.28 127.43 46.68 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 127.166 2.186 . . . . 0.0 105.319 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -112.15 135.87 52.25 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 125.596 1.558 . . . . 0.0 112.2 -173.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -92.57 120.52 33.1 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 125.737 1.615 . . . . 0.0 111.654 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.0 m -142.64 170.23 11.7 Favored 'Isoleucine or valine' 0 C--N 1.366 1.311 0 C-N-CA 127.026 2.131 . . . . 0.0 106.98 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -87.37 146.99 25.66 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.847 2.059 . . . . 0.0 109.555 173.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -96.09 -57.91 2.22 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 125.531 1.533 . . . . 0.0 109.833 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 7.3 p90 -167.16 171.96 10.41 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 104.378 -2.453 . . . . 0.0 104.378 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 p -130.02 132.58 46.29 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 101.122 -3.659 . . . . 0.0 101.122 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.73 164.67 36.86 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 118.231 2.678 . . . . 0.0 118.231 -173.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.74 119.67 34.64 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 127.263 2.225 . . . . 0.0 107.866 171.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.23 168.09 13.68 Favored 'General case' 0 CA--C 1.495 -1.144 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -103.04 106.92 17.54 Favored 'General case' 0 C--N 1.362 1.135 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 171.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.604 HG12 ' CE2' ' A' ' 110' ' ' TYR . 1.9 t -121.82 105.89 17.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 1 N-CA-C 98.426 -4.657 . . . . 0.0 98.426 -176.764 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -137.16 142.99 40.04 Favored Pre-proline 0 C--N 1.365 1.245 0 O-C-N 120.195 -1.566 . . . . 0.0 111.746 -169.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.75 139.1 42.98 Favored 'Trans proline' 0 C--N 1.371 1.723 0 C-N-CA 124.749 3.633 . . . . 0.0 113.655 175.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.557 0.0 OUTLIER 64.67 -165.12 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 C-N-CA 131.05 3.74 . . . . 0.0 117.489 -178.541 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.9 p -118.72 88.94 3.02 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 126.831 2.052 . . . . 0.0 113.295 -171.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -128.05 138.56 52.61 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 124.496 1.118 . . . . 0.0 113.617 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -101.33 7.72 42.65 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 126.458 1.903 . . . . 0.0 112.347 178.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 67.32 -59.29 0.4 Allowed 'General case' 0 C--N 1.362 1.134 0 C-N-CA 129.308 3.043 . . . . 0.0 116.675 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -93.35 -28.54 16.12 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 127.187 2.195 . . . . 0.0 113.07 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -94.87 64.48 2.88 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 124.691 1.196 . . . . 0.0 112.218 -175.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -110.63 88.12 2.7 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 127.957 2.503 . . . . 0.0 108.854 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.0 -2.61 29.26 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.288 1.835 . . . . 0.0 109.378 175.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . 0.275 9.1 mm100 82.82 42.45 0.03 OUTLIER 'General case' 0 C--N 1.355 0.84 0 C-N-CA 131.482 3.913 . . . . 0.0 111.599 -176.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -75.03 37.9 0.12 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 127.615 2.366 . . . . 0.0 114.837 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 tp 78.54 -161.07 0.03 OUTLIER 'General case' 0 C--N 1.357 0.924 0 C-N-CA 129.846 3.259 . . . . 0.0 115.261 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -173.62 161.47 3.97 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 127.206 2.202 . . . . 0.0 106.57 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.1 m -106.14 133.61 20.14 Favored Pre-proline 0 C--N 1.361 1.092 0 CA-C-O 116.713 -1.613 . . . . 0.0 108.624 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -79.51 123.62 5.49 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 CA-C-N 125.112 2.862 . . . . 0.0 109.742 169.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.9 mt 72.52 81.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.357 0 C-N-CA 126.608 1.963 . . . . 0.0 112.972 177.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -163.98 163.93 36.2 Favored Glycine 0 C--N 1.36 1.875 0 O-C-N 119.398 -2.064 . . . . 0.0 112.293 -176.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -128.91 143.1 50.79 Favored 'General case' 0 CA--C 1.494 -1.198 0 C-N-CA 127.046 2.138 . . . . 0.0 109.704 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.531 HD21 ' HE ' ' A' ' 132' ' ' ARG . 0.4 OUTLIER -143.13 121.15 12.08 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 102.665 -3.087 . . . . 0.0 102.665 173.481 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -133.9 152.24 34.19 Favored 'Isoleucine or valine' 0 C--N 1.36 1.025 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -168.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.296 0.1 OUTLIER -129.77 128.98 43.49 Favored 'General case' 0 C--N 1.373 1.601 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 166.828 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.9 t -139.04 158.96 68.69 Favored Pre-proline 0 C--N 1.353 0.732 0 C-N-CA 127.476 2.31 . . . . 0.0 107.706 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -65.92 142.81 70.45 Favored 'Trans proline' 0 CA--C 1.554 1.494 0 C-N-CA 124.012 3.141 . . . . 0.0 111.175 162.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.263 0.6 OUTLIER 2.43 22.11 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.107 2 C-N-CA 136.306 5.842 . . . . 0.0 125.668 -174.761 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -103.27 134.85 45.98 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 126.888 2.075 . . . . 0.0 110.979 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.406 ' HA ' HD11 ' A' ' 133' ' ' ILE . 1.0 OUTLIER -107.14 19.94 19.7 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 127.446 2.299 . . . . 0.0 108.913 175.406 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.45 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 58.5 mtp180 -102.23 1.1 35.49 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 118.796 2.888 . . . . 0.0 118.796 -164.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . 0.33 0.2 OUTLIER -78.04 -64.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.717 0 CA-C-N 123.125 2.693 . . . . 0.0 113.529 177.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -120.26 112.63 19.29 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.512 1.525 . . . . 0.0 110.687 -176.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 78.9 tttt 168.63 60.83 0.0 OUTLIER 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.277 22.3 tptm 76.06 48.45 0.08 Allowed 'General case' 0 C--N 1.371 1.513 0 CA-C-O 125.064 2.364 . . . . 0.0 110.775 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -141.04 -177.9 5.32 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 111.779 -2.464 . . . . 0.0 107.871 -175.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -145.0 131.07 19.33 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.685 1.594 . . . . 0.0 108.768 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.322 1.0 OUTLIER -130.59 161.68 40.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 O-C-N 119.12 -2.237 . . . . 0.0 109.638 177.463 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.497 HG22 ' H ' ' A' ' 112' ' ' GLY . 5.9 mt -118.13 108.1 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 CA-C-N 111.506 -2.588 . . . . 0.0 107.585 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.604 ' CE2' HG12 ' A' ' 72' ' ' VAL . 12.6 m-85 -94.23 82.82 4.15 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 126.652 1.981 . . . . 0.0 107.573 173.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 56.04 46.74 21.16 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 127.398 2.279 . . . . 0.0 116.795 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.497 ' H ' HG22 ' A' ' 109' ' ' ILE . . . 92.96 4.01 65.34 Favored Glycine 0 C--N 1.361 1.928 0 C-N-CA 126.421 1.963 . . . . 0.0 116.641 -174.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -99.52 104.6 16.43 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.642 1.577 . . . . 0.0 109.686 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.628 ' H ' HD13 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -93.3 110.15 22.81 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 C-N-CA 126.904 2.081 . . . . 0.0 112.755 -176.167 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 36.1 t -130.7 138.47 53.59 Favored 'Isoleucine or valine' 0 C--N 1.37 1.484 0 C-N-CA 124.779 1.232 . . . . 0.0 109.597 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.4 m -105.25 131.52 52.62 Favored 'General case' 0 C--N 1.379 1.884 0 C-N-CA 129.638 3.175 . . . . 0.0 107.595 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.33 163.89 32.94 Favored 'General case' 0 C--N 1.365 1.25 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -171.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.75 143.67 38.47 Favored 'Isoleucine or valine' 0 C--N 1.362 1.14 0 C-N-CA 127.918 2.487 . . . . 0.0 106.032 173.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -168.82 -169.57 32.38 Favored Glycine 0 C--N 1.365 2.164 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -169.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -130.98 129.75 22.65 Favored Pre-proline 0 C--N 1.368 1.372 0 C-N-CA 125.379 1.472 . . . . 0.0 113.779 -174.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -99.87 148.18 0.46 Allowed 'Trans proline' 0 C--N 1.365 1.4 0 C-N-CA 124.597 3.531 . . . . 0.0 114.445 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 13.4 p -132.99 133.23 58.9 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 C-N-CA 125.939 1.696 . . . . 0.0 110.197 169.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -102.09 156.16 17.73 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 126.961 2.104 . . . . 0.0 110.047 173.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 40.5 mt -86.31 -3.11 58.92 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 119.63 -1.919 . . . . 0.0 113.585 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . 0.354 88.8 p 91.88 -94.69 0.0 OUTLIER 'General case' 0 C--N 1.358 0.949 1 C-N-CA 131.982 4.113 . . . . 0.0 108.776 -176.742 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -128.14 4.71 6.83 Favored Glycine 0 C--N 1.354 1.538 0 C-N-CA 125.803 1.668 . . . . 0.0 112.258 171.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 58.8 mt -82.73 57.03 3.6 Favored 'General case' 0 C--N 1.365 1.243 0 O-C-N 119.929 -1.924 . . . . 0.0 112.733 -177.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 93.3 126.52 0.02 OUTLIER 'General case' 0 C--N 1.367 1.359 0 C-N-CA 131.599 3.96 . . . . 0.0 106.349 -171.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -69.5 52.52 0.1 Allowed 'General case' 0 C--N 1.36 1.056 0 C-N-CA 127.56 2.344 . . . . 0.0 115.995 -176.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 7.9 pt -121.93 137.2 56.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 CA-C-O 123.616 1.674 . . . . 0.0 109.587 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.7 p -113.13 142.27 45.95 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 130.136 3.374 . . . . 0.0 107.94 176.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.531 ' HE ' HD21 ' A' ' 93' ' ' ASN . 77.6 ttt180 -115.71 136.09 53.4 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 175.182 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' A' ' 100' ' ' ASP . 5.3 mm -121.06 130.85 74.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 177.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -123.15 108.24 12.63 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 128.014 2.526 . . . . 0.0 104.222 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -134.44 124.2 3.44 Favored Glycine 0 C--N 1.355 1.586 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -131.49 153.07 50.17 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -125.16 145.14 50.09 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 122.489 1.137 . . . . 0.0 110.069 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -101.38 56.06 0.83 Allowed 'General case' 0 C--N 1.358 0.949 0 C-N-CA 125.594 1.558 . . . . 0.0 109.098 177.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 119.51 -136.85 12.1 Favored Glycine 0 C--N 1.354 1.57 0 N-CA-C 108.456 -1.858 . . . . 0.0 108.456 -176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . 71.96 -64.53 0.39 Allowed 'General case' 0 C--N 1.357 0.928 0 C-N-CA 127.781 2.432 . . . . 0.0 117.362 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -103.24 71.46 1.11 Allowed 'General case' 0 C--N 1.36 1.065 0 CA-C-O 123.391 1.567 . . . . 0.0 110.39 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.8 p -145.62 123.65 4.81 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.395 0 N-CA-C 107.44 -2.264 . . . . 0.0 107.44 -179.171 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.9 mtm . . . . . 0 N--CA 1.442 -0.868 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . 0.252 3.7 t80 79.17 43.07 0.07 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 129.941 3.296 . . . . 0.0 112.918 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -82.4 47.25 1.13 Allowed 'General case' 0 C--N 1.359 0.989 0 O-C-N 119.773 -1.83 . . . . 0.0 114.562 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -134.45 -112.03 0.21 Allowed 'General case' 0 C--N 1.355 0.805 0 C-N-CA 126.818 2.047 . . . . 0.0 110.02 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -167.43 -176.66 3.31 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 126.047 1.739 . . . . 0.0 109.731 -178.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -93.88 -13.05 27.63 Favored 'General case' 0 C--N 1.364 1.224 0 C-N-CA 127.342 2.257 . . . . 0.0 113.624 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -131.19 140.21 49.86 Favored 'General case' 0 C--N 1.363 1.169 0 O-C-N 120.243 -1.536 . . . . 0.0 109.818 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 m -97.72 116.49 40.39 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 C-N-CA 126.083 1.753 . . . . 0.0 106.899 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.4 mm -98.5 157.97 3.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 C-N-CA 128.253 2.621 . . . . 0.0 111.068 -168.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.8 m -121.07 118.96 31.1 Favored 'General case' 0 C--N 1.368 1.372 0 O-C-N 120.56 -1.337 . . . . 0.0 108.564 -177.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.419 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 97.3 m-85 -112.21 127.51 55.97 Favored 'General case' 0 C--N 1.363 1.195 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -126.87 148.9 49.97 Favored 'General case' 0 C--N 1.38 1.909 0 C-N-CA 127.756 2.422 . . . . 0.0 109.795 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.1 t -127.71 161.06 29.81 Favored 'General case' 0 C--N 1.371 1.542 0 O-C-N 119.484 -2.01 . . . . 0.0 111.258 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -109.52 118.71 37.34 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 125.834 1.653 . . . . 0.0 107.786 176.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 81.7 t -101.65 133.66 44.42 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 C-N-CA 126.274 1.829 . . . . 0.0 109.888 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -154.84 -177.47 6.53 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -115.79 31.81 6.48 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-N 119.904 1.229 . . . . 0.0 110.972 -176.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 t 75.33 46.27 0.12 Allowed 'General case' 0 C--N 1.366 1.3 0 C-N-CA 127.069 2.148 . . . . 0.0 114.473 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.03 136.47 33.72 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.769 -1.207 . . . . 0.0 111.177 -177.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.75 -89.61 0.08 OUTLIER Glycine 0 C--N 1.36 1.883 0 N-CA-C 118.37 2.108 . . . . 0.0 118.37 -176.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -108.59 123.71 49.36 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 125.057 1.343 . . . . 0.0 111.375 -175.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.38 23.68 58.17 Favored Glycine 0 C--N 1.365 2.153 0 C-N-CA 126.068 1.794 . . . . 0.0 114.928 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.97 56.99 4.35 Favored Glycine 0 C--N 1.356 1.669 0 C-N-CA 126.322 1.915 . . . . 0.0 115.528 -175.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 30.26 -28.02 0.0 OUTLIER 'General case' 0 C--N 1.359 0.982 2 C-N-CA 136.28 5.832 . . . . 0.0 123.159 176.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.8 m -154.18 113.73 3.78 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 119.284 -2.135 . . . . 0.0 109.707 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -126.25 140.94 52.14 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 103.967 -2.605 . . . . 0.0 103.967 173.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -141.72 149.32 40.35 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.624 1.17 . . . . 0.0 110.547 -174.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -114.02 124.41 52.07 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 127.591 2.356 . . . . 0.0 106.387 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 68.5 t -133.98 137.83 51.48 Favored 'Isoleucine or valine' 0 C--N 1.361 1.084 0 C-N-CA 127.76 2.424 . . . . 0.0 106.803 -175.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.98 130.19 36.92 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 126.186 1.794 . . . . 0.0 108.208 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -83.52 -59.65 2.38 Favored 'General case' 0 C--N 1.362 1.109 0 CA-C-O 122.536 1.16 . . . . 0.0 113.81 -172.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.419 ' CZ ' ' CD1' ' A' ' 45' ' ' PHE . 8.5 p90 -170.08 179.54 3.51 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 -174.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.8 t -139.24 132.77 30.35 Favored 'General case' 0 N--CA 1.445 -0.69 1 N-CA-C 99.892 -4.114 . . . . 0.0 99.892 169.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.56 162.65 39.74 Favored 'General case' 0 CA--C 1.504 -0.819 0 O-C-N 121.533 -0.73 . . . . 0.0 111.753 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.92 116.11 21.41 Favored 'General case' 0 C--N 1.364 1.231 0 O-C-N 120.636 -1.29 . . . . 0.0 107.528 177.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.38 156.31 21.14 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -167.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -108.82 107.24 17.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 174.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.655 HG21 HG21 ' A' ' 108' ' ' VAL . 10.9 t -106.98 99.23 8.15 Favored 'Isoleucine or valine' 0 C--N 1.373 1.604 0 N-CA-C 100.937 -3.727 . . . . 0.0 100.937 176.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -116.29 157.94 44.16 Favored Pre-proline 0 C--N 1.367 1.34 0 O-C-N 118.385 -2.697 . . . . 0.0 110.558 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.31 155.18 60.84 Favored 'Trans proline' 0 CA--C 1.549 1.231 0 CA-C-N 126.915 3.505 . . . . 0.0 113.639 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.358 13.1 tt -51.56 102.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.376 1.74 0 C-N-CA 127.206 2.202 . . . . 0.0 116.717 -178.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.0 p -105.98 -101.19 0.34 Allowed 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 129.694 3.198 . . . . 0.0 109.482 -174.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -170.97 -178.98 2.63 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 124.632 1.173 . . . . 0.0 110.539 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -100.5 -5.84 26.37 Favored 'General case' 0 C--N 1.361 1.106 0 C-N-CA 129.071 2.948 . . . . 0.0 113.586 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . 0.277 52.3 mm-40 80.81 -57.84 0.3 Allowed 'General case' 0 C--N 1.365 1.243 0 C-N-CA 128.802 2.841 . . . . 0.0 112.098 -173.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -81.88 4.32 22.85 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 127.833 2.453 . . . . 0.0 114.259 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -161.01 145.04 13.47 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 127.81 2.444 . . . . 0.0 106.802 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -156.01 139.94 16.29 Favored 'General case' 0 C--N 1.358 0.975 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 175.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.76 -62.33 1.27 Allowed 'General case' 0 C--N 1.36 1.048 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 171.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 72.6 -139.94 0.04 OUTLIER 'General case' 0 C--N 1.364 1.216 0 C-N-CA 128.011 2.525 . . . . 0.0 113.246 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . 0.349 3.6 mp0 82.11 155.11 0.12 Allowed 'General case' 0 C--N 1.367 1.337 0 C-N-CA 130.47 3.508 . . . . 0.0 114.907 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.6 mt -92.05 -6.21 51.44 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 126.264 1.826 . . . . 0.0 112.418 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -89.85 -18.47 26.14 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 129.674 3.19 . . . . 0.0 111.149 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.7 m -83.26 111.79 33.79 Favored Pre-proline 0 C--N 1.364 1.196 0 C-N-CA 128.655 2.782 . . . . 0.0 109.328 176.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -73.3 139.29 28.87 Favored 'Trans proline' 0 C--N 1.367 1.539 0 C-N-CA 124.994 3.796 . . . . 0.0 112.79 -177.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.412 ' H ' HD12 ' A' ' 90' ' ' ILE . 2.3 mp -54.6 133.91 17.81 Favored 'Isoleucine or valine' 0 C--N 1.372 1.578 0 C-N-CA 127.126 2.171 . . . . 0.0 115.524 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -150.44 -172.76 19.99 Favored Glycine 0 C--N 1.356 1.653 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -114.53 155.29 26.72 Favored 'General case' 0 C--N 1.362 1.127 0 CA-C-O 124.168 1.937 . . . . 0.0 111.485 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . 0.281 2.6 t30 -123.7 119.13 28.89 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 102.51 -3.144 . . . . 0.0 102.51 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.495 HG12 HG22 ' A' ' 72' ' ' VAL . 3.6 mp -140.51 146.78 23.86 Favored 'Isoleucine or valine' 0 C--N 1.361 1.098 0 O-C-N 119.725 -1.859 . . . . 0.0 111.069 -172.1 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.01 140.3 48.89 Favored 'General case' 0 C--N 1.365 1.266 0 C-N-CA 125.07 1.348 . . . . 0.0 107.529 163.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.0 t -139.45 148.18 55.42 Favored Pre-proline 0 C--N 1.362 1.14 0 N-CA-C 103.286 -2.857 . . . . 0.0 103.286 170.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -64.16 126.57 17.38 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 125.084 3.856 . . . . 0.0 110.433 172.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.298 0.6 OUTLIER 34.76 13.88 0.0 OUTLIER 'General case' 0 C--N 1.356 0.857 2 C-N-CA 134.332 5.053 . . . . 0.0 122.794 -176.248 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -104.24 122.94 46.42 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 119.947 -1.721 . . . . 0.0 111.966 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.442 ' HA ' HG21 ' A' ' 131' ' ' THR . 3.1 m-20 -96.7 25.77 4.97 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 126.445 1.898 . . . . 0.0 112.212 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -94.07 -49.64 5.68 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 116.384 -1.77 . . . . 0.0 112.39 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.459 HD12 HG22 ' A' ' 133' ' ' ILE 0.317 1.3 pt 15.25 -87.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.381 1.957 1 C-N-CA 132.203 4.201 . . . . 0.0 120.124 170.299 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -135.76 113.23 10.74 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 122.538 1.161 . . . . 0.0 108.366 168.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -142.09 -73.52 0.31 Allowed 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 104.162 -2.533 . . . . 0.0 104.162 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -128.75 66.19 1.42 Allowed 'General case' 0 C--N 1.358 0.967 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 171.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.455 ' O ' ' HA ' ' A' ' 117' ' ' PHE 0.315 17.8 ptp -155.25 156.85 36.32 Favored 'General case' 0 C--N 1.364 1.198 0 N-CA-C 120.565 3.543 . . . . 0.0 120.565 -177.664 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -93.96 101.55 13.61 Favored 'General case' 0 C--N 1.358 0.975 1 C-N-CA 131.903 4.081 . . . . 0.0 105.632 -179.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.655 HG21 HG21 ' A' ' 72' ' ' VAL . 1.5 p -107.0 137.58 37.16 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.258 0 CA-C-O 122.534 1.159 . . . . 0.0 108.722 -175.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 48.5 mt -103.89 105.37 18.29 Favored 'Isoleucine or valine' 0 C--N 1.363 1.182 0 N-CA-C 103.767 -2.679 . . . . 0.0 103.767 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -99.16 111.76 24.07 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 126.2 1.8 . . . . 0.0 107.116 173.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 52.39 32.96 12.02 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 117.674 2.472 . . . . 0.0 117.674 175.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.83 3.96 65.64 Favored Glycine 0 C--N 1.359 1.816 0 C-N-CA 127.244 2.354 . . . . 0.0 116.236 -174.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -109.1 122.81 48.07 Favored 'General case' 0 C--N 1.361 1.087 0 CA-C-N 119.806 1.803 . . . . 0.0 110.651 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.2 mp -86.06 105.65 14.77 Favored 'Isoleucine or valine' 0 C--N 1.372 1.549 0 C-N-CA 125.404 1.482 . . . . 0.0 108.822 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.7 162.98 36.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 -168.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . 0.689 14.7 t 71.49 -89.75 0.03 OUTLIER 'General case' 0 C--N 1.378 1.818 2 N-CA-C 128.016 6.302 . . . . 0.0 128.016 168.018 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.455 ' HA ' ' O ' ' A' ' 106' ' ' MET 0.671 3.1 m-85 103.56 -74.34 0.0 OUTLIER 'General case' 0 C--N 1.374 1.65 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 -170.558 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 32.6 pt -104.6 144.17 14.99 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 N-CA-C 117.75 2.5 . . . . 0.0 117.75 -172.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.569 ' HA3' HD11 ' A' ' 133' ' ' ILE . . . -170.94 -179.26 42.04 Favored Glycine 0 C--N 1.361 1.925 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 173.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -127.97 101.44 22.93 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 126.092 1.757 . . . . 0.0 109.855 176.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -78.88 137.49 14.03 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 124.871 3.714 . . . . 0.0 114.842 -178.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.1 t -125.36 121.49 60.59 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 C-N-CA 127.224 2.21 . . . . 0.0 108.965 -177.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -87.73 108.92 19.35 Favored 'General case' 0 C--N 1.361 1.105 0 O-C-N 120.56 -1.337 . . . . 0.0 110.443 176.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.49 -36.16 24.32 Favored 'General case' 0 C--N 1.366 1.317 0 O-C-N 120.495 -1.378 . . . . 0.0 111.902 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.2 t 68.59 -61.37 0.41 Allowed 'General case' 0 C--N 1.36 1.022 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -74.53 48.0 1.82 Allowed Glycine 0 C--N 1.366 2.215 0 C-N-CA 126.564 2.031 . . . . 0.0 116.052 176.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 23.3 tp -158.92 47.64 0.32 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . 0.298 6.4 mm100 73.44 33.31 1.11 Allowed 'General case' 0 C--N 1.36 1.028 0 C-N-CA 129.535 3.134 . . . . 0.0 117.255 178.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . 0.263 6.9 mp0 72.83 46.77 0.24 Allowed 'General case' 0 C--N 1.368 1.386 0 C-N-CA 128.548 2.739 . . . . 0.0 112.416 178.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.7 pp -107.75 142.67 19.86 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 CA-C-O 123.343 1.544 . . . . 0.0 113.562 -176.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.442 HG21 ' HA ' ' A' ' 100' ' ' ASP . 71.4 m -112.24 132.31 55.0 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 128.165 2.586 . . . . 0.0 107.954 173.229 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -124.46 138.85 54.31 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 126.88 2.072 . . . . 0.0 111.889 -173.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.569 HD11 ' HA3' ' A' ' 119' ' ' GLY . 0.0 OUTLIER -134.23 143.95 36.69 Favored 'Isoleucine or valine' 0 C--N 1.358 0.937 0 O-C-N 120.182 -1.574 . . . . 0.0 109.768 174.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -126.49 108.15 10.9 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 106.238 -1.764 . . . . 0.0 106.238 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -117.4 144.25 18.23 Favored Glycine 0 C--N 1.358 1.782 0 C-N-CA 125.269 1.414 . . . . 0.0 113.796 -176.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -133.78 151.89 51.71 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 129.162 2.985 . . . . 0.0 104.329 177.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -94.03 149.16 21.49 Favored 'General case' 0 C--N 1.363 1.167 0 O-C-N 120.86 -1.15 . . . . 0.0 111.588 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 83.85 79.28 0.02 OUTLIER 'General case' 0 C--N 1.363 1.178 0 C-N-CA 128.875 2.87 . . . . 0.0 110.821 -174.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -67.58 54.01 0.33 Allowed Glycine 0 C--N 1.361 1.965 0 N-CA-C 121.241 3.256 . . . . 0.0 121.241 -168.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -96.66 2.68 52.41 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 127.024 2.13 . . . . 0.0 110.631 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -82.05 34.54 0.41 Allowed 'General case' 0 C--N 1.358 0.975 0 C-N-CA 129.847 3.259 . . . . 0.0 113.663 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.1 t -101.31 60.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.965 0 C-N-CA 127.529 2.332 . . . . 0.0 108.662 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 1.797 0 C-N-CA 125.621 1.581 . . . . 0.0 113.155 -178.692 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.439 -0.99 0 CA-C-O 122.091 0.948 . . . . 0.0 108.769 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -64.48 51.11 0.02 OUTLIER 'General case' 0 C--N 1.355 0.827 0 C-N-CA 130.227 3.411 . . . . 0.0 118.533 -175.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 73.93 86.46 0.1 Allowed 'General case' 0 C--N 1.36 1.039 0 C-N-CA 129.041 2.936 . . . . 0.0 115.347 176.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.03 65.34 0.75 Allowed 'General case' 0 C--N 1.355 0.844 0 CA-C-O 123.936 1.827 . . . . 0.0 109.333 178.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -133.31 34.93 3.49 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 126.296 1.839 . . . . 0.0 107.369 174.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -126.95 61.9 1.34 Allowed 'General case' 0 C--N 1.359 1.018 0 O-C-N 120.775 -1.203 . . . . 0.0 113.39 -175.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -148.92 170.54 18.07 Favored 'General case' 0 C--N 1.362 1.145 0 O-C-N 119.408 -2.058 . . . . 0.0 110.447 176.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.3 t -97.62 128.17 49.22 Favored 'Isoleucine or valine' 0 C--N 1.364 1.208 0 C-N-CA 128.008 2.523 . . . . 0.0 107.573 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.9 pt -132.11 168.21 24.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 O-C-N 118.957 -2.34 . . . . 0.0 111.823 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.8 m -113.29 124.3 52.17 Favored 'General case' 0 C--N 1.378 1.823 0 C-N-CA 125.194 1.397 . . . . 0.0 110.775 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.559 ' CE2' HG22 ' A' ' 102' ' ' ILE . 84.9 m-85 -105.97 136.92 44.78 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 123.697 0.799 . . . . 0.0 113.136 176.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -132.62 162.98 29.92 Favored 'General case' 0 C--N 1.373 1.596 0 C-N-CA 127.444 2.297 . . . . 0.0 109.674 -177.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.6 t -141.6 161.21 38.48 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 125.508 1.523 . . . . 0.0 108.79 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -121.29 124.74 45.34 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 128.535 2.734 . . . . 0.0 105.757 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.2 p -145.23 151.17 15.29 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 O-C-N 120.759 -1.213 . . . . 0.0 108.002 -172.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.281 28.6 tt0 91.75 76.79 0.0 OUTLIER 'General case' 0 C--N 1.368 1.377 0 C-N-CA 126.984 2.114 . . . . 0.0 114.961 176.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.17 64.46 5.92 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 127.231 2.212 . . . . 0.0 111.519 178.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.6 t -112.67 133.8 54.52 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 126.072 1.749 . . . . 0.0 110.798 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . 0.264 17.4 p-10 -94.18 159.73 15.01 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 119.775 -1.828 . . . . 0.0 112.597 173.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -124.39 45.07 1.2 Allowed Glycine 0 C--N 1.36 1.896 0 C-N-CA 127.2 2.334 . . . . 0.0 108.92 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.259 31.5 tt0 87.67 -105.12 0.01 OUTLIER 'General case' 0 C--N 1.358 0.941 0 C-N-CA 129.389 3.076 . . . . 0.0 109.701 -177.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.27 53.0 0.81 Allowed Glycine 0 C--N 1.367 2.278 0 C-N-CA 126.373 1.939 . . . . 0.0 110.696 173.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.64 167.74 40.12 Favored Glycine 0 C--N 1.354 1.539 0 N-CA-C 104.816 -3.314 . . . . 0.0 104.816 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -133.65 145.84 50.33 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 120.104 -1.821 . . . . 0.0 112.787 -174.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.8 p -119.64 104.69 10.49 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 125.644 1.578 . . . . 0.0 108.857 -178.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -127.61 166.38 18.17 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 125.473 1.509 . . . . 0.0 108.066 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -124.24 139.02 54.31 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.802 1.241 . . . . 0.0 109.606 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -114.22 128.92 56.59 Favored 'General case' 0 C--N 1.361 1.095 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 174.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.5 p -143.59 157.31 16.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 C-N-CA 123.695 0.798 . . . . 0.0 108.955 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -95.61 135.03 37.8 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 127.113 2.165 . . . . 0.0 108.053 175.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -88.07 -56.07 3.49 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 126.172 1.789 . . . . 0.0 111.544 -175.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 101' ' ' ARG . 36.9 p90 -167.69 172.84 8.93 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -175.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 m -131.44 132.5 44.36 Favored 'General case' 0 CA--C 1.505 -0.774 1 N-CA-C 99.566 -4.235 . . . . 0.0 99.566 171.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.26 165.41 35.97 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 121.848 0.832 . . . . 0.0 112.917 -175.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.77 114.24 20.28 Favored 'General case' 0 C--N 1.367 1.332 0 CA-C-O 122.448 1.118 . . . . 0.0 108.744 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.7 170.02 2.45 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 105.488 -2.042 . . . . 0.0 105.488 -172.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.01 128.53 16.02 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 171.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.646 HG22 HG13 ' A' ' 94' ' ' ILE . 91.4 t -105.8 99.22 8.05 Favored 'Isoleucine or valine' 0 C--N 1.37 1.475 0 C-N-CA 127.307 2.243 . . . . 0.0 106.316 177.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -102.96 129.59 25.35 Favored Pre-proline 0 C--N 1.362 1.127 0 O-C-N 120.132 -1.605 . . . . 0.0 112.966 -175.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -72.06 141.68 36.85 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 124.744 3.629 . . . . 0.0 112.595 173.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.6 pt -79.34 58.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.248 0 O-C-N 119.828 -1.795 . . . . 0.0 114.403 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 t -173.89 -152.13 0.05 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 -178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -132.25 -136.03 0.19 Allowed 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.723 -1.236 . . . . 0.0 111.584 -177.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -91.74 -28.29 17.5 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 127.059 2.144 . . . . 0.0 113.915 -174.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -105.38 80.3 1.57 Allowed 'General case' 0 C--N 1.356 0.87 0 C-N-CA 125.845 1.658 . . . . 0.0 107.449 177.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -91.28 -39.05 12.28 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 126.593 1.957 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.0 t80 87.42 -115.93 0.01 OUTLIER 'General case' 0 C--N 1.369 1.43 0 C-N-CA 130.071 3.348 . . . . 0.0 111.464 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -125.58 -97.44 0.42 Allowed 'General case' 0 C--N 1.35 0.621 0 N-CA-C 104.55 -2.389 . . . . 0.0 104.55 175.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.81 -45.21 5.81 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 122.356 1.075 . . . . 0.0 108.941 172.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? 86.19 -71.92 0.02 OUTLIER 'General case' 0 C--N 1.358 0.976 0 C-N-CA 127.893 2.477 . . . . 0.0 108.532 -177.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -141.68 -167.01 2.33 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 126.461 1.904 . . . . 0.0 107.864 176.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.6 tp -93.87 -5.25 48.42 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 126.48 1.912 . . . . 0.0 115.013 -174.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -124.17 95.23 4.47 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 102.178 -3.267 . . . . 0.0 102.178 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.1 t -155.03 150.19 20.81 Favored Pre-proline 0 C--N 1.35 0.6 0 O-C-N 120.251 -1.531 . . . . 0.0 109.354 -169.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -78.11 124.34 6.61 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 123.972 3.115 . . . . 0.0 111.655 175.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 5.7 tp -151.14 74.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.628 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -179.72 -175.83 46.79 Favored Glycine 0 C--N 1.35 1.337 0 O-C-N 120.017 -1.677 . . . . 0.0 112.171 -176.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.458 ' CD2' HG12 ' A' ' 72' ' ' VAL . 52.9 m-85 -121.29 153.1 38.14 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 126.583 1.953 . . . . 0.0 114.231 -177.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -122.36 120.33 33.69 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 101.483 -3.525 . . . . 0.0 101.483 169.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.646 HG13 HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -147.44 143.15 19.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 O-C-N 119.494 -2.003 . . . . 0.0 112.302 -171.458 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.17 141.52 48.41 Favored 'General case' 0 C--N 1.377 1.796 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 172.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.7 m -139.3 147.66 53.8 Favored Pre-proline 0 C--N 1.352 0.689 0 N-CA-C 102.886 -3.005 . . . . 0.0 102.886 167.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.96 135.52 17.46 Favored 'Trans proline' 0 C--N 1.357 0.985 0 CA-C-N 126.297 3.285 . . . . 0.0 110.715 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 19.04 -10.62 0.0 OUTLIER 'General case' 0 C--N 1.359 0.998 2 C-N-CA 138.543 6.737 . . . . 0.0 123.855 -177.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -104.44 157.75 16.94 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 128.905 2.882 . . . . 0.0 111.821 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -96.43 66.06 2.36 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 120.417 -1.427 . . . . 0.0 108.747 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 59.4 mtt180 -76.47 -49.39 16.7 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 124.469 1.108 . . . . 0.0 112.632 -177.058 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.559 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -62.01 151.87 7.08 Favored 'Isoleucine or valine' 0 C--N 1.366 1.315 0 C-N-CA 130.791 3.636 . . . . 0.0 115.268 165.816 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -135.99 -178.92 5.36 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -175.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -82.92 -23.5 33.5 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 130.251 3.42 . . . . 0.0 114.822 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -139.65 82.25 1.87 Allowed 'General case' 0 C--N 1.347 0.494 0 N-CA-C 104.875 -2.268 . . . . 0.0 104.875 177.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -144.55 168.65 19.63 Favored 'General case' 0 C--N 1.363 1.154 0 CA-C-O 122.869 1.318 . . . . 0.0 110.766 -172.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -127.89 150.98 49.63 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.13 149.53 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 CA-C-O 123.176 1.465 . . . . 0.0 109.521 -178.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 58.1 mt -108.49 104.06 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 N-CA-C 101.661 -3.459 . . . . 0.0 101.661 165.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -95.17 103.19 15.04 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 130.057 3.343 . . . . 0.0 107.543 173.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . 0.363 17.6 ptm180 44.08 40.43 3.45 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 129.605 3.162 . . . . 0.0 118.168 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.18 6.28 63.19 Favored Glycine 0 C--N 1.36 1.914 0 C-N-CA 127.534 2.492 . . . . 0.0 116.463 -176.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -108.45 125.41 51.74 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 119.655 1.728 . . . . 0.0 109.019 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 18.8 mt -97.37 106.67 18.87 Favored 'Isoleucine or valine' 0 C--N 1.367 1.365 0 C-N-CA 124.507 1.123 . . . . 0.0 109.911 -178.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.5 m -132.53 160.76 42.35 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 C-N-CA 125.573 1.549 . . . . 0.0 111.318 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.8 151.54 19.55 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 129.788 3.235 . . . . 0.0 108.535 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -149.5 160.8 43.16 Favored 'General case' 0 C--N 1.37 1.48 0 CA-C-N 118.666 0.666 . . . . 0.0 112.424 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.451 HD13 ' H ' ' A' ' 118' ' ' ILE . 0.1 OUTLIER -133.16 170.94 18.98 Favored 'Isoleucine or valine' 0 C--N 1.374 1.655 0 C-N-CA 127.675 2.39 . . . . 0.0 108.818 179.858 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 126.19 157.79 9.69 Favored Glycine 0 C--N 1.367 2.275 0 O-C-N 120.654 -1.279 . . . . 0.0 114.917 171.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -103.35 123.87 40.17 Favored Pre-proline 0 C--N 1.359 1.014 0 C-N-CA 125.937 1.695 . . . . 0.0 111.153 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.9 132.35 10.6 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.73 3.62 . . . . 0.0 113.35 175.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.4 p -132.93 144.14 37.45 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 C-N-CA 124.803 1.241 . . . . 0.0 109.477 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -101.71 102.14 12.76 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 125.949 1.7 . . . . 0.0 111.51 173.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.402 ' H ' ' HD3' ' A' ' 132' ' ' ARG . 3.6 mm? -82.09 -3.13 54.06 Favored 'General case' 0 C--N 1.371 1.523 0 O-C-N 119.373 -2.079 . . . . 0.0 111.758 176.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 48.5 m -159.62 105.26 1.63 Allowed 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.812 2.045 . . . . 0.0 108.907 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -88.59 9.87 74.18 Favored Glycine 0 C--N 1.367 2.259 0 C-N-CA 127.189 2.328 . . . . 0.0 114.484 176.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.0 mt -100.08 -30.15 12.11 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 130.021 3.328 . . . . 0.0 110.299 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -85.07 -19.22 32.25 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 126.825 2.05 . . . . 0.0 113.747 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 72.53 39.21 0.73 Allowed 'General case' 0 C--N 1.368 1.413 0 C-N-CA 129.064 2.946 . . . . 0.0 113.845 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.0 tt -128.97 125.31 62.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 O-C-N 120.058 -1.652 . . . . 0.0 110.927 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.26 117.08 31.84 Favored 'General case' 0 C--N 1.37 1.494 0 N-CA-C 103.573 -2.751 . . . . 0.0 103.573 166.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.402 ' HD3' ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -112.93 137.08 51.85 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 125.178 1.391 . . . . 0.0 108.94 -176.858 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.92 136.5 58.78 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -178.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -128.0 116.39 19.97 Favored 'General case' 0 N--CA 1.443 -0.799 1 N-CA-C 99.369 -4.308 . . . . 0.0 99.369 170.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.21 131.65 4.17 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 109.521 -1.431 . . . . 0.0 109.521 -176.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -145.63 168.72 19.98 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 117.983 0.892 . . . . 0.0 110.253 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -96.18 129.55 43.46 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 125.779 1.632 . . . . 0.0 109.548 175.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -102.83 66.19 0.92 Allowed 'General case' 0 C--N 1.356 0.885 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -173.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 61.34 -78.82 0.02 OUTLIER Glycine 0 C--N 1.361 1.939 0 C-N-CA 128.859 3.123 . . . . 0.0 118.556 172.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.36 52.08 0.75 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 128.52 2.728 . . . . 0.0 115.133 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -146.93 -44.67 0.18 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 127.14 2.176 . . . . 0.0 105.712 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 10.6 p -93.49 -37.57 8.57 Favored 'Isoleucine or valine' 0 C--N 1.365 1.262 0 C-N-CA 125.376 1.47 . . . . 0.0 112.097 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 1.854 0 O-C-N 120.733 -1.229 . . . . 0.0 111.455 178.619 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.442 -0.832 0 CA-C-O 121.951 0.881 . . . . 0.0 109.048 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -122.07 128.01 50.86 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 125.495 1.518 . . . . 0.0 107.488 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -89.44 72.35 7.97 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 124.881 1.273 . . . . 0.0 110.621 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -93.95 -39.61 10.57 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.666 1.586 . . . . 0.0 111.461 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -164.2 -175.93 4.21 Favored 'General case' 0 C--N 1.362 1.136 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 177.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -82.59 -23.36 34.43 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 129.06 2.944 . . . . 0.0 114.02 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -135.78 154.59 51.17 Favored 'General case' 0 C--N 1.366 1.296 0 O-C-N 120.037 -1.664 . . . . 0.0 111.375 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 m -101.76 138.92 24.31 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 C-N-CA 127.334 2.254 . . . . 0.0 106.11 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.73 170.57 19.58 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 O-C-N 119.995 -1.691 . . . . 0.0 110.683 -176.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.4 m -119.29 123.63 44.7 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 121.254 -0.904 . . . . 0.0 113.373 -174.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.46 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 99.0 m-85 -104.19 133.58 48.88 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 124.042 0.937 . . . . 0.0 112.536 175.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -142.72 145.58 33.49 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 127.215 2.206 . . . . 0.0 109.583 -175.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.8 p -136.02 168.34 19.54 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 119.77 -1.831 . . . . 0.0 113.074 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -114.6 130.22 56.76 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 128.318 2.647 . . . . 0.0 108.249 -177.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.69 143.43 33.79 Favored 'Isoleucine or valine' 0 C--N 1.361 1.101 0 C-N-CA 125.866 1.666 . . . . 0.0 109.256 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -117.74 -29.32 5.75 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 127.164 2.186 . . . . 0.0 112.374 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -81.46 40.93 0.59 Allowed 'General case' 0 C--N 1.367 1.356 0 O-C-N 118.705 -2.497 . . . . 0.0 113.65 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.2 m -109.22 -62.02 1.54 Allowed 'General case' 0 C--N 1.353 0.726 0 C-N-CA 130.564 3.545 . . . . 0.0 110.281 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -93.4 73.18 4.48 Favored 'General case' 0 C--N 1.364 1.225 0 O-C-N 120.383 -1.448 . . . . 0.0 113.489 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -93.71 62.35 1.96 Allowed Glycine 0 C--N 1.352 1.454 0 O-C-N 120.492 -1.38 . . . . 0.0 113.066 171.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -148.03 108.36 4.11 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -178.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.47 -60.52 4.52 Favored Glycine 0 C--N 1.364 2.132 0 C-N-CA 125.598 1.571 . . . . 0.0 113.706 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -153.68 172.75 32.45 Favored Glycine 0 C--N 1.347 1.182 0 N-CA-C 104.751 -3.34 . . . . 0.0 104.751 176.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -104.94 154.46 20.06 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 118.658 1.229 . . . . 0.0 113.433 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.2 t -154.92 173.45 16.5 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 173.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -123.07 161.79 23.67 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 126.491 1.916 . . . . 0.0 110.792 -178.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -143.79 161.05 39.61 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.106 1.363 . . . . 0.0 110.01 177.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -109.47 131.64 54.88 Favored 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 129.447 3.099 . . . . 0.0 104.891 171.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.8 p -142.32 159.65 19.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -82.82 141.04 32.6 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 126.431 1.892 . . . . 0.0 109.781 176.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -95.36 -57.79 2.31 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.11 0.964 . . . . 0.0 110.527 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.46 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 14.2 p90 -162.18 171.39 17.47 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -177.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 p -132.61 133.52 43.74 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 101.91 -3.367 . . . . 0.0 101.91 175.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.15 164.34 34.2 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -177.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.69 117.03 29.74 Favored 'General case' 0 C--N 1.366 1.321 0 N-CA-C 104.795 -2.298 . . . . 0.0 104.795 172.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -174.5 154.76 2.13 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 -167.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -108.21 107.16 17.66 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.479 ' HA ' HG22 ' A' ' 94' ' ' ILE 0.267 1.0 OUTLIER -128.67 112.63 26.72 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 N-CA-C 100.585 -3.858 . . . . 0.0 100.585 -178.258 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -140.09 146.94 48.53 Favored Pre-proline 0 C--N 1.361 1.087 0 O-C-N 120.794 -1.191 . . . . 0.0 110.396 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.402 ' HB2' HG21 ' A' ' 142' ' ' VAL . 84.4 Cg_endo -71.56 155.06 59.84 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 124.352 3.368 . . . . 0.0 113.251 176.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.46 25.3 pt 60.45 130.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.03 0 N-CA-C 119.575 3.176 . . . . 0.0 119.575 177.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 t -112.37 152.8 28.19 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 125.805 1.642 . . . . 0.0 112.044 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.08 10.89 10.14 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 126.493 1.917 . . . . 0.0 109.898 174.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -92.01 -9.01 44.41 Favored 'General case' 0 C--N 1.365 1.266 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 -173.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -104.54 77.88 1.42 Allowed 'General case' 0 C--N 1.36 1.023 0 C-N-CA 126.123 1.769 . . . . 0.0 108.917 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -96.63 -5.71 38.38 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 126.877 2.071 . . . . 0.0 114.624 -176.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -86.8 -26.82 23.91 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 125.565 1.546 . . . . 0.0 112.054 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -160.08 134.83 7.74 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 100.774 -3.788 . . . . 0.0 100.774 176.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.0 23.56 3.15 Favored 'General case' 0 C--N 1.362 1.117 0 N-CA-C 115.96 1.837 . . . . 0.0 115.96 -174.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -164.85 167.54 18.63 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 177.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -109.86 -21.92 12.13 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 127.014 2.126 . . . . 0.0 114.334 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.1 mt -157.64 167.32 30.44 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 102.976 -2.972 . . . . 0.0 102.976 -175.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -81.32 55.77 2.68 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.03 1.732 . . . . 0.0 114.42 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.4 p -158.75 114.9 1.66 Allowed Pre-proline 0 C--N 1.359 0.993 0 CA-C-O 115.966 -1.969 . . . . 0.0 106.802 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.59 129.25 8.25 Favored 'Trans proline' 0 CA--C 1.549 1.257 0 C-N-CA 125.137 3.891 . . . . 0.0 114.961 -177.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.6 tp -175.99 123.42 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.366 1.31 0 C-N-CA 126.728 2.011 . . . . 0.0 107.524 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -147.26 141.76 9.64 Favored Glycine 0 C--N 1.367 2.255 0 O-C-N 118.646 -2.534 . . . . 0.0 115.175 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -138.98 155.34 48.08 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -118.76 119.04 33.22 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 103.511 -2.774 . . . . 0.0 103.511 169.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.479 HG22 ' HA ' ' A' ' 72' ' ' VAL . 1.5 pp -139.03 131.26 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 176.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.07 114.68 19.38 Favored 'General case' 0 C--N 1.363 1.173 1 N-CA-C 96.755 -5.276 . . . . 0.0 96.755 165.698 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 53.6 m -138.28 109.28 8.17 Favored Pre-proline 0 C--N 1.349 0.58 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 -175.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -60.54 130.26 32.86 Favored 'Trans proline' 0 C--N 1.369 1.628 1 C-N-CA 125.685 4.257 . . . . 0.0 113.571 -176.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.393 0.4 OUTLIER 21.58 17.04 0.0 OUTLIER 'General case' 0 C--N 1.358 0.974 2 C-N-CA 135.349 5.459 . . . . 0.0 123.944 -173.484 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -104.08 110.31 22.44 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 129.478 3.111 . . . . 0.0 106.814 173.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -97.93 22.48 9.22 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 124.929 1.292 . . . . 0.0 113.455 -176.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.418 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.8 mmt180 -102.78 1.91 34.85 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -175.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.464 HG12 HD13 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -52.89 -58.52 2.68 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 1 C-N-CA 131.913 4.085 . . . . 0.0 114.189 178.648 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -129.59 112.95 14.23 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 126.912 2.085 . . . . 0.0 106.22 173.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -169.74 40.59 0.03 OUTLIER 'General case' 0 C--N 1.349 0.553 0 N-CA-C 103.935 -2.617 . . . . 0.0 103.935 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 50.8 tptt 71.42 75.31 0.18 Allowed 'General case' 0 C--N 1.366 1.31 0 C-N-CA 128.611 2.764 . . . . 0.0 111.768 -175.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.0 mtt -147.45 -177.72 5.85 Favored 'General case' 0 C--N 1.365 1.257 0 CA-C-O 122.597 1.189 . . . . 0.0 109.557 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -124.86 143.93 50.58 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 127.0 2.12 . . . . 0.0 106.203 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.9 p -146.39 146.38 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 O-C-N 120.13 -1.607 . . . . 0.0 108.63 -173.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.6 tt -121.26 107.97 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.529 0 N-CA-C 105.121 -2.177 . . . . 0.0 105.121 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.88 88.67 5.38 Favored 'General case' 0 C--N 1.386 2.152 0 C-N-CA 126.852 2.061 . . . . 0.0 109.212 176.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 62.07 41.31 11.11 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 127.343 2.257 . . . . 0.0 115.77 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.82 9.86 60.66 Favored Glycine 0 C--N 1.364 2.108 0 N-CA-C 117.704 1.842 . . . . 0.0 117.704 -178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -115.91 121.4 42.21 Favored 'General case' 0 C--N 1.36 1.05 0 CA-C-N 120.197 1.999 . . . . 0.0 107.193 177.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 15.2 tt -112.38 117.98 56.63 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 N-CA-C 115.019 1.488 . . . . 0.0 115.019 -172.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.0 t -132.95 162.22 40.36 Favored 'Isoleucine or valine' 0 C--N 1.373 1.616 0 C-N-CA 125.956 1.702 . . . . 0.0 109.058 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.6 t -118.72 137.85 53.05 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.11 1.764 . . . . 0.0 107.725 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -152.37 152.27 31.85 Favored 'General case' 0 C--N 1.362 1.134 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -174.073 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.0 142.14 42.84 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 C-N-CA 124.979 1.311 . . . . 0.0 108.052 175.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 176.84 -168.86 41.05 Favored Glycine 0 C--N 1.362 2.015 0 N-CA-C 106.866 -2.493 . . . . 0.0 106.866 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -150.91 127.01 5.06 Favored Pre-proline 0 C--N 1.37 1.46 0 CA-C-O 116.707 -1.616 . . . . 0.0 108.245 177.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -87.07 158.35 8.54 Favored 'Trans proline' 0 CA--C 1.553 1.449 1 C-N-CA 125.673 4.249 . . . . 0.0 112.552 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.6 t -100.29 135.77 34.65 Favored 'Isoleucine or valine' 0 C--N 1.361 1.067 0 C-N-CA 127.962 2.505 . . . . 0.0 109.289 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -101.56 126.73 48.42 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.6 tp -93.72 -20.24 20.32 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.149 2.18 . . . . 0.0 110.904 173.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . 0.321 66.5 m 50.11 -122.56 1.86 Allowed 'General case' 0 C--N 1.363 1.188 0 N-CA-C 119.55 3.167 . . . . 0.0 119.55 175.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -72.91 51.22 1.57 Allowed Glycine 0 C--N 1.368 2.356 0 N-CA-C 119.017 2.367 . . . . 0.0 119.017 -169.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.1 mt -131.73 -81.18 0.51 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 128.114 2.565 . . . . 0.0 106.28 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -100.26 -20.56 15.84 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 124.835 1.254 . . . . 0.0 111.823 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 75.12 59.04 0.06 Allowed 'General case' 0 C--N 1.366 1.293 0 C-N-CA 128.43 2.692 . . . . 0.0 111.539 -176.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.437 HD13 HH21 ' A' ' 132' ' ' ARG . 19.4 tt -126.93 134.98 64.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 123.736 1.731 . . . . 0.0 113.263 -174.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.3 114.69 27.03 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 128.834 2.854 . . . . 0.0 104.903 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.437 HH21 HD13 ' A' ' 130' ' ' ILE . 29.1 ttm180 -125.79 138.26 53.83 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 125.77 1.628 . . . . 0.0 114.685 -172.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.44 ' H ' HG13 ' A' ' 94' ' ' ILE . 0.4 OUTLIER -127.77 128.57 69.48 Favored 'Isoleucine or valine' 0 C--N 1.366 1.297 0 N-CA-C 103.056 -2.942 . . . . 0.0 103.056 165.711 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -129.63 107.55 9.53 Favored 'General case' 0 C--N 1.362 1.149 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 168.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -124.67 156.06 18.58 Favored Glycine 0 C--N 1.357 1.735 0 O-C-N 120.404 -1.435 . . . . 0.0 110.553 -177.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -126.55 145.29 50.59 Favored 'General case' 0 C--N 1.364 1.234 0 CA-C-N 119.693 1.747 . . . . 0.0 112.495 -174.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -109.16 109.6 20.61 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 129.033 2.933 . . . . 0.0 110.676 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -85.72 76.0 10.01 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 125.146 1.378 . . . . 0.0 110.046 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 171.32 -148.0 10.77 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 108.148 -1.981 . . . . 0.0 108.148 -177.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -146.07 132.32 19.49 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 121.349 -1.089 . . . . 0.0 108.182 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -176.13 -179.44 1.12 Allowed 'General case' 0 C--N 1.359 0.985 0 N-CA-C 103.376 -2.824 . . . . 0.0 103.376 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.402 HG21 ' HB2' ' A' ' 74' ' ' PRO 0.352 11.7 m 52.43 -41.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.355 1 N-CA-C 122.259 4.17 . . . . 0.0 122.259 175.809 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.547 0 C-N-CA 125.102 1.334 . . . . 0.0 110.074 -176.615 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 CA--C 1.505 -0.783 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 m -96.88 114.67 34.39 Favored 'Isoleucine or valine' 0 C--N 1.367 1.359 0 CA-C-O 125.461 2.553 . . . . 0.0 104.514 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 70' ' ' ALA . 10.5 pt -132.43 158.5 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 112.323 -2.217 . . . . 0.0 107.836 -171.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.9 m -116.68 122.56 44.9 Favored 'General case' 0 C--N 1.365 1.268 0 CA-C-O 122.71 1.243 . . . . 0.0 110.633 -174.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -94.58 123.66 38.15 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 126.965 2.106 . . . . 0.0 109.96 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -135.15 173.05 12.15 Favored 'General case' 0 C--N 1.375 1.713 0 CA-C-O 122.615 1.198 . . . . 0.0 107.879 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.1 m -122.89 137.8 54.84 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 126.265 1.826 . . . . 0.0 111.805 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 18.2 t80 . . . . . 0 C--N 1.352 0.706 1 N-CA-C 100.023 -4.066 . . . . 0.0 100.023 167.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 85.6 m95 . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 120.57 0.224 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.37 160.74 17.11 Favored 'Isoleucine or valine' 0 C--N 1.368 1.387 0 C-N-CA 125.571 1.549 . . . . 0.0 107.613 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -103.63 139.57 38.74 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 126.065 1.746 . . . . 0.0 109.885 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -99.3 -60.71 1.48 Allowed 'General case' 0 C--N 1.367 1.345 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -173.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' A' ' 101' ' ' ARG . 17.6 p90 -164.83 172.81 12.46 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -178.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 p -129.98 133.46 46.8 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 104.306 -2.479 . . . . 0.0 104.306 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.94 164.16 35.36 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-O 123.344 1.545 . . . . 0.0 114.771 -176.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.22 112.7 24.32 Favored 'General case' 0 C--N 1.37 1.497 0 N-CA-C 102.869 -3.011 . . . . 0.0 102.869 167.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.403 ' HB3' HD11 ' A' ' 43' ' ' ILE . . . -157.23 169.26 25.16 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.562 -166.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -134.33 111.01 9.86 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.518 ' HA ' ' HB ' ' A' ' 94' ' ' ILE . 15.4 t -111.02 125.45 68.36 Favored 'Isoleucine or valine' 0 C--N 1.363 1.178 0 N-CA-C 101.259 -3.608 . . . . 0.0 101.259 171.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -133.51 138.74 31.91 Favored Pre-proline 0 C--N 1.364 1.199 0 CA-C-O 116.99 -1.481 . . . . 0.0 109.007 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.87 155.02 58.43 Favored 'Trans proline' 0 C--N 1.371 1.758 0 C-N-CA 124.953 3.769 . . . . 0.0 112.901 171.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.3 tt . . . . . 0 C--N 1.362 1.143 0 N-CA-C 117.812 2.523 . . . . 0.0 117.812 -178.793 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.89 0 CA-C-O 122.84 1.245 . . . . 0.0 112.402 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -127.01 147.97 50.12 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 123.702 1.715 . . . . 0.0 109.958 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -124.09 130.89 53.31 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 111.562 -2.563 . . . . 0.0 107.609 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.518 ' HB ' ' HA ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -143.11 147.24 20.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 O-C-N 119.795 -1.816 . . . . 0.0 111.748 -179.4 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -128.56 132.34 48.24 Favored 'General case' 0 C--N 1.369 1.443 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 169.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.7 m -139.01 143.1 35.64 Favored Pre-proline 0 C--N 1.359 1.012 0 N-CA-C 103.006 -2.961 . . . . 0.0 103.006 173.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.25 124.38 10.82 Favored 'Trans proline' 0 C--N 1.373 1.863 0 CA-C-N 125.854 3.126 . . . . 0.0 108.725 175.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.372 2.5 t80 32.12 19.35 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.975 1 C-N-CA 133.915 4.886 . . . . 0.0 120.765 -170.533 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -98.02 125.99 43.23 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 119.032 -2.292 . . . . 0.0 108.584 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.423 ' HA ' HD11 ' A' ' 133' ' ' ILE . 3.7 m-20 -112.75 13.37 19.79 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 126.359 1.864 . . . . 0.0 112.454 -174.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.436 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 18.9 tpt180 -102.04 -2.77 28.86 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 117.762 2.504 . . . . 0.0 117.762 -170.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.514 ' H ' HD12 ' A' ' 102' ' ' ILE . 3.2 mp -63.24 -69.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.733 0 C-N-CA 128.368 2.667 . . . . 0.0 114.495 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -106.57 111.35 23.87 Favored 'General case' 0 C--N 1.363 1.184 0 O-C-N 121.358 -0.839 . . . . 0.0 109.908 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.0 tptm 178.02 42.88 0.0 OUTLIER 'General case' 0 C--N 1.35 0.605 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.25 7.0 tmtm? 79.46 80.03 0.05 Allowed 'General case' 0 C--N 1.367 1.341 0 C-N-CA 127.996 2.518 . . . . 0.0 110.714 -175.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.8 mmt -147.77 173.24 12.99 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.615 -1.303 . . . . 0.0 108.542 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -138.88 98.37 3.53 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 104.826 -2.287 . . . . 0.0 104.826 176.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 m -108.13 158.84 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.72 0 O-C-N 116.825 -3.672 . . . . 0.0 112.024 -169.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.1 tt -117.18 107.19 21.68 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-O 123.681 1.705 . . . . 0.0 108.989 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.445 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 3.6 p90 -112.79 128.27 56.39 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.096 1.758 . . . . 0.0 108.043 175.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 46.1 32.19 1.35 Allowed 'General case' 0 C--N 1.367 1.338 0 C-N-CA 128.823 2.849 . . . . 0.0 118.063 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.6 0.2 73.03 Favored Glycine 0 C--N 1.359 1.842 0 C-N-CA 126.377 1.941 . . . . 0.0 116.471 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -106.09 124.91 50.32 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-N 119.9 1.85 . . . . 0.0 111.548 -176.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.56 117.33 42.09 Favored 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 125.028 1.331 . . . . 0.0 109.337 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.7 p -131.2 153.69 39.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 O-C-N 120.587 -1.321 . . . . 0.0 111.315 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.8 t -117.01 136.1 53.2 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 128.138 2.575 . . . . 0.0 107.848 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -168.89 153.05 5.55 Favored 'General case' 0 C--N 1.361 1.097 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -174.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.96 143.3 35.01 Favored 'Isoleucine or valine' 0 C--N 1.367 1.332 0 C-N-CA 125.601 1.56 . . . . 0.0 107.091 176.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.85 -162.93 13.73 Favored Glycine 0 C--N 1.365 2.192 0 O-C-N 119.835 -1.791 . . . . 0.0 114.033 -174.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -146.26 126.6 7.03 Favored Pre-proline 0 C--N 1.37 1.458 0 C-N-CA 125.659 1.584 . . . . 0.0 110.664 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -87.61 147.51 7.26 Favored 'Trans proline' 0 C--N 1.363 1.336 0 C-N-CA 124.468 3.445 . . . . 0.0 113.655 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.05 142.05 44.55 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 127.151 2.181 . . . . 0.0 105.885 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 . . . . . 0 C--N 1.364 1.212 0 O-C-N 118.47 -2.644 . . . . 0.0 108.77 175.72 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 CA--C 1.514 -0.42 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.4 mt -109.7 140.61 27.88 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 O-C-N 120.634 -1.291 . . . . 0.0 111.867 -176.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 51.7 m -108.28 135.19 50.02 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 128.282 2.633 . . . . 0.0 105.763 170.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -119.01 123.28 44.16 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 105.831 -1.915 . . . . 0.0 105.831 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.423 HD11 ' HA ' ' A' ' 100' ' ' ASP . 9.3 mt . . . . . 0 C--N 1.356 0.891 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 -174.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 . . . . . 0 CA--C 1.517 -0.293 0 N-CA-C 103.371 -2.825 . . . . 0.0 103.371 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -96.6 115.35 35.81 Favored 'Isoleucine or valine' 0 C--N 1.365 1.262 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.7 mm -111.92 140.73 30.09 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 C-N-CA 126.645 1.978 . . . . 0.0 106.922 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.7 m -105.54 120.71 42.32 Favored 'General case' 0 C--N 1.369 1.416 0 CA-C-N 119.352 0.978 . . . . 0.0 110.806 -174.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.496 ' CZ ' HG22 ' A' ' 102' ' ' ILE . 93.2 m-85 -112.79 135.71 53.23 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 116.582 2.067 . . . . 0.0 116.582 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -121.19 154.49 36.17 Favored 'General case' 0 C--N 1.384 2.102 0 C-N-CA 128.114 2.566 . . . . 0.0 112.653 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.8 p -123.81 162.3 23.5 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 124.738 1.215 . . . . 0.0 110.523 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.362 1.123 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 179.115 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.6 m95 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.0 m -133.8 161.8 40.45 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -72.59 122.59 21.62 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.386 2.275 . . . . 0.0 113.611 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -84.42 -45.11 13.05 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 129.136 2.974 . . . . 0.0 110.021 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 4.7 p90 -171.79 176.85 3.52 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.4 m -141.4 132.37 26.07 Favored 'General case' 0 CA--C 1.497 -1.062 1 N-CA-C 99.221 -4.363 . . . . 0.0 99.221 172.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.56 163.18 36.61 Favored 'General case' 0 CA--C 1.5 -0.967 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.73 113.38 20.35 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 125.321 1.448 . . . . 0.0 108.085 175.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -165.08 170.44 15.05 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.271 -167.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -119.63 107.73 13.61 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 102.043 -3.317 . . . . 0.0 102.043 171.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.563 HG13 HG13 ' A' ' 94' ' ' ILE . 3.6 t -126.96 98.82 4.96 Favored 'Isoleucine or valine' 0 C--N 1.361 1.084 1 N-CA-C 99.209 -4.367 . . . . 0.0 99.209 -175.32 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.68 163.02 53.73 Favored Pre-proline 0 C--N 1.379 1.849 0 C-N-CA 125.521 1.528 . . . . 0.0 111.246 -172.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -71.54 145.9 48.29 Favored 'Trans proline' 0 C--N 1.374 1.882 1 C-N-CA 125.593 4.196 . . . . 0.0 110.568 171.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 pt . . . . . 0 N--CA 1.493 1.715 1 N-CA-C 122.722 4.341 . . . . 0.0 122.722 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.484 -1.871 0 CA-C-O 121.587 0.548 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -122.2 143.58 49.49 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 122.919 1.342 . . . . 0.0 108.468 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -127.53 120.92 29.35 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 127.471 2.308 . . . . 0.0 105.338 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.563 HG13 HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -149.27 145.98 17.47 Favored 'Isoleucine or valine' 0 C--N 1.35 0.61 0 CA-C-O 122.458 1.123 . . . . 0.0 113.227 -170.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.309 0.9 OUTLIER -131.72 132.76 44.14 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 126.141 1.776 . . . . 0.0 107.47 166.439 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.0 t -139.55 146.04 46.27 Favored Pre-proline 0 C--N 1.371 1.512 0 N-CA-C 104.103 -2.555 . . . . 0.0 104.103 174.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.81 126.94 11.11 Favored 'Trans proline' 0 C--N 1.364 1.373 0 C-N-CA 124.999 3.799 . . . . 0.0 110.232 -178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.364 1.0 OUTLIER 46.46 -5.76 0.0 OUTLIER 'General case' 0 C--N 1.359 0.992 1 C-N-CA 132.344 4.257 . . . . 0.0 121.553 -175.789 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.77 125.96 35.12 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 119.308 -2.12 . . . . 0.0 112.656 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -110.92 24.82 12.46 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 127.317 2.247 . . . . 0.0 108.736 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.501 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 92.9 mtt180 -102.38 -12.35 17.96 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 117.588 2.44 . . . . 0.0 117.588 -171.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.496 HG22 ' CZ ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -47.41 -72.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.368 1.412 1 C-N-CA 132.22 4.208 . . . . 0.0 119.399 -177.693 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.493 ' H ' HG12 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -104.95 165.22 11.22 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 128.187 2.595 . . . . 0.0 109.666 179.066 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 118' ' ' ILE 0.339 47.2 tttm 103.0 77.23 0.0 OUTLIER 'General case' 0 C--N 1.372 1.545 0 C-N-CA 127.612 2.365 . . . . 0.0 111.796 176.068 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.9 tttt 81.23 21.71 0.36 Allowed 'General case' 0 C--N 1.371 1.509 0 C-N-CA 127.273 2.229 . . . . 0.0 110.032 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 24.7 mmt -109.47 165.78 11.39 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 120.637 -1.29 . . . . 0.0 112.385 -171.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -127.92 129.26 46.55 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.385 2.274 . . . . 0.0 105.159 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.514 HG11 ' CZ ' ' A' ' 117' ' ' PHE . 6.1 p -136.5 151.74 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-O 122.563 1.173 . . . . 0.0 110.021 -172.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 112' ' ' GLY . 4.1 mp -120.11 107.41 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 CA-C-N 112.819 -1.991 . . . . 0.0 107.005 174.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.11 101.56 13.32 Favored 'General case' 0 C--N 1.382 1.993 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 169.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 52.1 34.4 14.07 Favored 'General case' 0 C--N 1.367 1.361 0 N-CA-C 118.052 2.612 . . . . 0.0 118.052 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 109' ' ' ILE . . . 93.01 11.25 58.99 Favored Glycine 0 C--N 1.36 1.913 0 C-N-CA 125.433 1.492 . . . . 0.0 116.749 -173.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -105.95 115.42 30.19 Favored 'General case' 0 C--N 1.36 1.064 0 CA-C-N 119.667 1.734 . . . . 0.0 110.102 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.3 pt -94.11 112.8 27.54 Favored 'Isoleucine or valine' 0 C--N 1.366 1.321 0 C-N-CA 125.953 1.701 . . . . 0.0 114.157 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.4 t -131.77 155.86 42.05 Favored 'Isoleucine or valine' 0 C--N 1.365 1.276 0 C-N-CA 126.872 2.069 . . . . 0.0 108.5 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.9 t -127.7 141.61 51.55 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.514 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -162.72 172.72 14.86 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 117.316 2.339 . . . . 0.0 117.316 -164.494 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 104' ' ' LYS . 24.0 pt -124.75 173.2 11.22 Favored 'Isoleucine or valine' 0 C--N 1.372 1.546 0 C-N-CA 131.214 3.806 . . . . 0.0 110.09 177.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 163.16 -158.73 31.15 Favored Glycine 0 C--N 1.364 2.127 0 N-CA-C 107.536 -2.226 . . . . 0.0 107.536 -176.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -158.83 109.39 1.6 Allowed Pre-proline 0 C--N 1.363 1.168 0 C-N-CA 125.748 1.619 . . . . 0.0 110.117 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -88.36 146.25 6.17 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 125.0 3.8 . . . . 0.0 115.072 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.0 t -132.52 147.69 31.9 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 N-CA-C 103.329 -2.841 . . . . 0.0 103.329 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--N 1.372 1.567 0 C-N-CA 125.843 1.657 . . . . 0.0 108.623 177.373 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 . . . . . 0 CA--C 1.512 -0.487 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.4 pp -92.39 133.92 32.18 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 O-C-N 118.967 -2.333 . . . . 0.0 109.916 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 48.2 m -98.55 130.64 45.11 Favored 'General case' 0 C--N 1.361 1.08 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -125.02 132.36 53.25 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 126.017 1.727 . . . . 0.0 107.584 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.502 -0.872 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 N--CA 1.446 -0.628 0 CA-C-O 121.908 0.861 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.4 m -108.32 116.36 51.39 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 N-CA-C 103.522 -2.77 . . . . 0.0 103.522 172.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.31 171.01 14.65 Favored 'Isoleucine or valine' 0 C--N 1.344 0.342 0 O-C-N 119.895 -1.753 . . . . 0.0 112.561 -166.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -115.7 113.34 23.36 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 124.24 1.016 . . . . 0.0 111.32 -169.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.42 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 27.7 m-85 -107.61 130.5 54.89 Favored 'General case' 0 C--N 1.362 1.117 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -175.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -120.97 159.48 25.51 Favored 'General case' 0 C--N 1.386 2.17 0 C-N-CA 126.863 2.065 . . . . 0.0 115.533 -171.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 m -145.55 148.38 33.12 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 125.772 1.629 . . . . 0.0 109.772 173.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.361 1.073 0 C-N-CA 125.942 1.697 . . . . 0.0 108.654 179.305 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 8.7 m95 . . . . . 0 N--CA 1.444 -0.742 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.7 m -131.14 161.27 41.36 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 O-C-N 121.248 -0.907 . . . . 0.0 109.299 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -90.24 115.02 27.14 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 127.506 2.322 . . . . 0.0 104.889 172.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -68.59 -48.57 63.83 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 127.552 2.341 . . . . 0.0 112.457 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.42 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 2.3 p90 -171.07 172.22 5.49 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.02 132.44 41.86 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 101.117 -3.661 . . . . 0.0 101.117 176.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.1 164.2 38.14 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 122.353 1.073 . . . . 0.0 113.893 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.88 121.41 27.69 Favored 'General case' 0 C--N 1.363 1.152 0 C-N-CA 126.501 1.921 . . . . 0.0 107.338 171.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.09 164.58 22.82 Favored 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 120.601 -1.312 . . . . 0.0 107.711 -172.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -124.5 106.15 9.95 Favored 'General case' 0 C--N 1.359 1.014 0 N-CA-C 101.818 -3.401 . . . . 0.0 101.818 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.411 HG22 HG21 ' A' ' 102' ' ' ILE . 36.8 t -107.26 117.12 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 128.142 2.577 . . . . 0.0 104.554 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -140.9 164.19 37.74 Favored Pre-proline 0 C--N 1.357 0.914 0 O-C-N 120.296 -1.503 . . . . 0.0 110.327 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -69.11 156.2 65.76 Favored 'Trans proline' 0 CA--C 1.552 1.414 1 C-N-CA 125.752 4.301 . . . . 0.0 113.071 175.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 tt . . . . . 0 CA--C 1.561 1.402 0 CA-C-N 122.094 2.225 . . . . 0.0 116.765 179.607 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.494 0 CA-C-O 122.17 0.872 . . . . 0.0 113.797 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.404 ' CE1' HG21 ' A' ' 115' ' ' VAL . 4.6 m-85 -113.14 159.02 19.67 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 124.833 2.254 . . . . 0.0 111.548 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -124.38 120.58 32.52 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 103.174 -2.898 . . . . 0.0 103.174 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.41 HD12 HG22 ' A' ' 72' ' ' VAL . 3.6 mm -120.81 133.02 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 C-N-CA 124.88 1.272 . . . . 0.0 108.254 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.391 1.8 p90 -129.82 140.55 51.0 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 164.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 m -139.82 151.88 66.8 Favored Pre-proline 0 C--N 1.354 0.774 0 C-N-CA 126.235 1.814 . . . . 0.0 108.324 -171.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -75.8 125.78 9.02 Favored 'Trans proline' 0 CA--C 1.556 1.588 0 CA-C-N 125.591 3.032 . . . . 0.0 108.229 162.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.361 0.0 OUTLIER 34.51 2.42 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.911 2 N-CA-C 124.731 5.086 . . . . 0.0 124.731 -176.201 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -103.38 131.94 50.05 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 119.694 -1.879 . . . . 0.0 112.261 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -107.68 25.95 10.88 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 126.486 1.914 . . . . 0.0 111.513 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.9 ttp-105 -102.54 1.42 34.95 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 119.506 3.15 . . . . 0.0 119.506 -167.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.602 HG23 HG11 ' A' ' 108' ' ' VAL . 3.2 mp -72.0 -67.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.673 0 CA-C-N 123.531 2.878 . . . . 0.0 113.194 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.497 ' HB3' ' CE1' ' A' ' 117' ' ' PHE . 35.3 p30 -116.11 113.79 23.62 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -165.96 53.28 0.1 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 174.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.7 tttp 76.75 69.02 0.06 Allowed 'General case' 0 C--N 1.372 1.557 0 C-N-CA 129.587 3.155 . . . . 0.0 111.085 -174.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 20.9 mtt -148.64 176.8 10.04 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 124.533 1.133 . . . . 0.0 108.835 -169.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 mpm_? -133.97 134.41 42.48 Favored 'General case' 0 C--N 1.367 1.342 0 N-CA-C 106.175 -1.787 . . . . 0.0 106.175 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.602 HG11 HG23 ' A' ' 102' ' ' ILE . 35.2 m -132.22 146.16 33.54 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 CA-C-O 122.699 1.237 . . . . 0.0 113.617 -176.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.3 mp -105.17 107.45 22.61 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 170.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.454 ' N ' ' CD1' ' A' ' 110' ' ' TYR 0.253 1.3 p90 -112.08 111.54 22.52 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 126.741 2.016 . . . . 0.0 107.459 173.792 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 58.81 31.71 21.51 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 126.939 2.096 . . . . 0.0 116.584 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.42 -2.21 86.34 Favored Glycine 0 C--N 1.359 1.812 0 N-CA-C 116.22 1.248 . . . . 0.0 116.22 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -97.02 140.95 30.78 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 125.739 1.616 . . . . 0.0 108.443 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 12.1 mt -118.68 124.61 73.42 Favored 'Isoleucine or valine' 0 C--N 1.369 1.431 0 CA-C-N 119.366 0.985 . . . . 0.0 109.739 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.404 HG21 ' CE1' ' A' ' 92' ' ' TYR . 9.8 p -131.78 152.1 36.4 Favored 'Isoleucine or valine' 0 C--N 1.36 1.022 0 C-N-CA 125.298 1.439 . . . . 0.0 110.561 177.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.1 t -119.07 135.54 54.59 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 129.04 2.936 . . . . 0.0 106.944 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -171.35 158.8 5.46 Favored 'General case' 0 C--N 1.367 1.354 0 N-CA-C 116.087 1.884 . . . . 0.0 116.087 -172.296 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 tp -120.2 118.45 56.86 Favored 'Isoleucine or valine' 0 C--N 1.37 1.498 0 C-N-CA 125.97 1.708 . . . . 0.0 108.902 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -126.69 174.64 18.07 Favored Glycine 0 C--N 1.363 2.047 0 O-C-N 120.546 -1.346 . . . . 0.0 115.564 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -129.32 128.6 23.22 Favored Pre-proline 0 C--N 1.357 0.896 0 C-N-CA 127.386 2.274 . . . . 0.0 109.282 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -96.43 153.65 1.27 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 123.901 3.068 . . . . 0.0 114.975 -177.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 18.0 t -131.99 126.32 56.43 Favored 'Isoleucine or valine' 0 C--N 1.368 1.381 0 C-N-CA 128.406 2.682 . . . . 0.0 107.758 175.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--N 1.368 1.401 0 O-C-N 119.843 -1.786 . . . . 0.0 112.657 177.055 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 . . . . . 0 N--CA 1.465 0.306 0 CA-C-O 123.737 1.732 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.8 pp -107.11 140.74 24.27 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 O-C-N 120.093 -1.629 . . . . 0.0 111.087 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 23.6 m -98.73 138.59 35.67 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 125.145 1.378 . . . . 0.0 108.916 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -119.74 122.68 41.96 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 C--N 1.353 0.754 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -179.521 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 CA--C 1.508 -0.667 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.1 t -97.15 115.46 36.86 Favored 'Isoleucine or valine' 0 C--N 1.368 1.375 0 CA-C-O 123.515 1.626 . . . . 0.0 108.2 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 pt -117.22 170.56 6.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 O-C-N 120.338 -1.476 . . . . 0.0 109.979 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.7 m -121.38 125.43 46.93 Favored 'General case' 0 C--N 1.373 1.628 0 O-C-N 120.736 -1.227 . . . . 0.0 110.625 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.426 ' CG ' ' CZ ' ' A' ' 66' ' ' PHE . 75.1 m-85 -105.34 130.89 53.35 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 125.964 1.706 . . . . 0.0 110.873 179.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -131.81 146.33 52.08 Favored 'General case' 0 C--N 1.373 1.594 0 C-N-CA 125.912 1.685 . . . . 0.0 110.579 -176.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.4 p -126.36 157.78 37.59 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 120.534 -1.354 . . . . 0.0 112.981 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.361 1.078 0 C-N-CA 129.711 3.204 . . . . 0.0 104.47 176.643 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.4 m95 . . . . . 0 N--CA 1.443 -0.781 0 CA-C-O 122.921 1.343 . . . . 0.0 111.606 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.2 p -143.4 164.29 15.7 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.37 146.44 26.46 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 125.855 1.662 . . . . 0.0 107.867 173.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -100.8 -61.65 1.34 Allowed 'General case' 0 C--N 1.354 0.78 0 CA-C-O 122.623 1.202 . . . . 0.0 110.05 -174.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.426 ' CZ ' ' CG ' ' A' ' 45' ' ' PHE . 5.4 p90 -162.93 174.53 12.23 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 104.878 -2.268 . . . . 0.0 104.878 -177.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -135.88 133.23 37.52 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 101.752 -3.425 . . . . 0.0 101.752 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.72 164.84 33.18 Favored 'General case' 0 CA--C 1.498 -1.055 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.98 114.53 20.62 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 123.947 1.832 . . . . 0.0 106.529 170.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -158.12 166.83 31.49 Favored 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 114.185 -1.371 . . . . 0.0 107.727 -172.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -128.22 107.53 9.86 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 101.758 -3.423 . . . . 0.0 101.758 171.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.41 ' HA ' HG23 ' A' ' 94' ' ' ILE . 9.1 t -110.33 103.24 15.18 Favored 'Isoleucine or valine' 0 C--N 1.373 1.614 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -138.61 152.77 71.54 Favored Pre-proline 0 C--N 1.361 1.106 0 O-C-N 118.806 -2.434 . . . . 0.0 111.938 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -71.61 150.03 56.29 Favored 'Trans proline' 0 C--N 1.364 1.381 0 C-N-CA 124.996 3.797 . . . . 0.0 113.937 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.6 tt . . . . . 0 C--N 1.363 1.174 0 CA-C-O 125.471 2.557 . . . . 0.0 110.337 175.905 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.746 0 CA-C-O 122.098 0.832 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.277 6.2 m-85 -106.09 157.22 17.7 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-O 125.32 2.486 . . . . 0.0 109.555 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER -127.35 118.06 23.42 Favored 'General case' 0 N--CA 1.441 -0.899 1 N-CA-C 99.581 -4.229 . . . . 0.0 99.581 176.475 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.41 HG23 ' HA ' ' A' ' 72' ' ' VAL . 9.1 mt -147.09 142.23 20.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 O-C-N 121.101 -0.999 . . . . 0.0 110.947 -169.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.14 139.2 52.03 Favored 'General case' 0 C--N 1.368 1.396 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 169.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.1 t -139.99 142.25 29.91 Favored Pre-proline 0 C--N 1.368 1.406 0 N-CA-C 103.127 -2.916 . . . . 0.0 103.127 162.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -61.06 126.85 20.54 Favored 'Trans proline' 0 C--N 1.369 1.62 1 C-N-CA 125.337 4.025 . . . . 0.0 112.052 176.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.364 0.7 OUTLIER 28.32 16.56 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.664 2 C-N-CA 135.826 5.651 . . . . 0.0 122.432 -174.338 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -103.34 131.26 50.55 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 119.98 -1.7 . . . . 0.0 110.281 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -99.8 31.81 3.11 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 127.185 2.194 . . . . 0.0 112.438 -175.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -103.14 -47.58 4.29 Favored 'General case' 0 C--N 1.356 0.888 0 N-CA-C 118.071 2.619 . . . . 0.0 118.071 -176.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.43 HG12 ' H ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -9.31 -67.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.388 2.251 1 C-N-CA 133.058 4.543 . . . . 0.0 120.614 178.641 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.43 ' H ' HG12 ' A' ' 102' ' ' ILE . 55.5 t0 -135.22 111.4 9.63 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 100.769 -3.789 . . . . 0.0 100.769 170.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -147.95 -83.9 0.11 Allowed 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 101.557 -3.498 . . . . 0.0 101.557 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -142.49 90.24 2.21 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 100.372 -3.936 . . . . 0.0 100.372 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.8 ttm -158.76 170.78 21.38 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 120.527 -1.358 . . . . 0.0 111.455 -169.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -128.85 134.51 48.34 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.8 m -134.84 151.21 30.88 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 O-C-N 120.487 -1.383 . . . . 0.0 109.075 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.4 pt -112.19 107.8 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 101.863 -3.384 . . . . 0.0 101.863 166.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -96.6 107.16 19.55 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 130.596 3.558 . . . . 0.0 103.855 173.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 46.29 32.73 1.59 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 128.818 2.847 . . . . 0.0 118.468 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.63 8.47 62.26 Favored Glycine 0 C--N 1.364 2.124 0 C-N-CA 126.059 1.79 . . . . 0.0 116.065 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -110.81 124.3 51.76 Favored 'General case' 0 C--N 1.361 1.07 0 CA-C-N 119.597 1.698 . . . . 0.0 108.028 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.3 tt -92.54 127.72 44.54 Favored 'Isoleucine or valine' 0 C--N 1.363 1.189 0 CA-C-O 123.38 1.562 . . . . 0.0 113.86 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.7 t -128.66 137.62 56.83 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 C-N-CA 127.447 2.299 . . . . 0.0 108.665 -175.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.1 t -123.88 126.53 46.56 Favored 'General case' 0 C--N 1.368 1.374 0 N-CA-C 104.909 -2.256 . . . . 0.0 104.909 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.83 155.16 11.98 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-O 122.941 1.353 . . . . 0.0 114.572 -171.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 10.9 tt -117.48 135.17 58.73 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 C-N-CA 127.468 2.307 . . . . 0.0 108.694 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -156.99 -169.77 21.23 Favored Glycine 0 C--N 1.36 1.897 0 O-C-N 120.291 -1.506 . . . . 0.0 112.076 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -151.6 96.72 3.15 Favored Pre-proline 0 C--N 1.362 1.126 0 C-N-CA 126.406 1.882 . . . . 0.0 111.718 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -72.69 146.82 44.0 Favored 'Trans proline' 0 CA--C 1.547 1.138 1 C-N-CA 125.66 4.24 . . . . 0.0 116.336 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.4 p -132.78 148.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 C-N-CA 125.774 1.63 . . . . 0.0 113.14 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--N 1.367 1.357 0 O-C-N 120.006 -1.684 . . . . 0.0 108.074 172.282 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 121.394 0.616 . . . . 0.0 112.211 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 15.1 pt -100.7 131.53 48.12 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 C-N-CA 124.472 1.109 . . . . 0.0 113.218 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.3 m -110.41 119.47 39.31 Favored 'General case' 0 C--N 1.364 1.233 0 N-CA-C 104.445 -2.428 . . . . 0.0 104.445 170.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -123.97 138.08 54.52 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 125.464 1.506 . . . . 0.0 111.056 -172.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.356 0.879 0 N-CA-C 106.341 -1.725 . . . . 0.0 106.341 171.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.6 t70 . . . . . 0 N--CA 1.47 0.541 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -96.51 114.7 34.0 Favored 'Isoleucine or valine' 0 C--N 1.37 1.482 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 70' ' ' ALA . 33.6 mt -107.3 156.3 7.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 128.662 2.785 . . . . 0.0 109.865 -170.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.5 m -120.8 111.23 17.3 Favored 'General case' 0 C--N 1.37 1.474 0 O-C-N 121.133 -0.979 . . . . 0.0 109.381 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 82.9 m-85 -107.48 132.75 52.88 Favored 'General case' 0 C--N 1.363 1.153 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -178.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.05 159.86 27.56 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 126.756 2.022 . . . . 0.0 108.849 171.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.3 t -121.14 148.77 43.75 Favored 'General case' 0 C--N 1.374 1.642 0 C-N-CA 128.118 2.567 . . . . 0.0 112.86 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.2 t80 . . . . . 0 C--N 1.359 1.021 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 174.25 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 29.2 m95 . . . . . 0 N--CA 1.443 -0.808 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -129.03 166.9 25.48 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 O-C-N 120.949 -1.094 . . . . 0.0 108.174 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -97.69 135.4 39.54 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 125.766 1.626 . . . . 0.0 107.155 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -98.19 -68.29 0.81 Allowed 'General case' 0 C--N 1.365 1.259 0 O-C-N 121.121 -0.987 . . . . 0.0 112.7 -173.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.424 ' CZ ' ' CD1' ' A' ' 45' ' ' PHE . 6.7 p90 -164.91 175.16 9.8 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -177.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 t -136.99 132.96 35.05 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 102.732 -3.062 . . . . 0.0 102.732 170.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.15 165.06 37.04 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.36 121.94 26.84 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.308 1.843 . . . . 0.0 109.386 177.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.488 ' HB3' HD12 ' A' ' 43' ' ' ILE . . . -169.01 171.88 7.93 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 122.803 1.287 . . . . 0.0 112.912 -162.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -129.58 122.06 28.37 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 165.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.416 ' HA ' HG12 ' A' ' 94' ' ' ILE . 10.6 t -107.72 102.11 13.49 Favored 'Isoleucine or valine' 0 C--N 1.374 1.652 0 N-CA-C 102.661 -3.088 . . . . 0.0 102.661 171.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -113.79 138.77 22.86 Favored Pre-proline 0 C--N 1.357 0.898 0 O-C-N 119.597 -1.939 . . . . 0.0 112.3 -172.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -71.61 155.89 58.42 Favored 'Trans proline' 0 CA--C 1.551 1.338 0 CA-C-N 126.359 3.307 . . . . 0.0 114.099 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.3 pt . . . . . 0 C--N 1.379 1.887 0 C-N-CA 127.838 2.455 . . . . 0.0 112.963 172.855 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.482 -2.023 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -132.82 154.16 50.58 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 123.696 1.712 . . . . 0.0 109.341 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.481 HD21 ' HE ' ' A' ' 132' ' ' ARG . 1.3 t-20 -127.58 118.89 24.79 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 103.258 -2.867 . . . . 0.0 103.258 173.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.416 HG12 ' HA ' ' A' ' 72' ' ' VAL . 28.4 mt -133.53 145.7 33.22 Favored 'Isoleucine or valine' 0 C--N 1.348 0.539 0 O-C-N 120.971 -1.081 . . . . 0.0 110.463 -170.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.76 129.36 50.31 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 104.584 -2.376 . . . . 0.0 104.584 171.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.1 m -140.84 145.37 39.41 Favored Pre-proline 0 C--N 1.352 0.679 0 N-CA-C 104.435 -2.432 . . . . 0.0 104.435 172.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -73.6 140.14 29.24 Favored 'Trans proline' 0 C--N 1.363 1.32 0 C-N-CA 124.915 3.743 . . . . 0.0 112.04 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.381 1.5 t80 31.69 -1.78 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.061 2 C-N-CA 136.032 5.733 . . . . 0.0 123.523 -177.16 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -103.45 106.52 17.05 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 129.412 3.085 . . . . 0.0 111.615 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -87.81 48.2 1.61 Allowed 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.358 2.263 . . . . 0.0 111.386 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.405 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 85.8 mmt-85 -102.09 -49.46 3.92 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 128.863 2.865 . . . . 0.0 112.916 -173.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.497 HD12 HG22 ' A' ' 133' ' ' ILE . 0.8 OUTLIER 8.7 -82.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.377 1.799 1 C-N-CA 132.312 4.245 . . . . 0.0 120.856 167.998 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.407 ' H ' HG13 ' A' ' 102' ' ' ILE . 56.1 t0 -122.94 111.61 16.83 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 127.339 2.256 . . . . 0.0 105.858 170.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -175.27 43.4 0.01 OUTLIER 'General case' 0 C--N 1.365 1.24 0 C-N-CA 126.518 1.927 . . . . 0.0 107.698 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 81.55 56.61 0.02 OUTLIER 'General case' 0 C--N 1.372 1.555 0 C-N-CA 128.496 2.719 . . . . 0.0 108.395 -170.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.09 158.51 36.82 Favored 'General case' 0 C--N 1.364 1.232 0 CA-C-O 124.527 2.108 . . . . 0.0 111.031 -171.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -123.9 129.98 51.85 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 101.555 -3.498 . . . . 0.0 101.555 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.5 p -131.32 143.71 39.82 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 CA-C-O 122.599 1.19 . . . . 0.0 109.357 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.05 105.65 19.02 Favored 'Isoleucine or valine' 0 C--N 1.369 1.432 0 N-CA-C 101.118 -3.66 . . . . 0.0 101.118 166.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -99.55 90.45 4.51 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 128.582 2.753 . . . . 0.0 105.947 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 60.51 33.08 20.58 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.84 8.47 61.92 Favored Glycine 0 C--N 1.364 2.119 0 C-N-CA 126.042 1.782 . . . . 0.0 115.535 -174.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -108.19 120.05 41.25 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 125.83 1.652 . . . . 0.0 109.431 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.4 pt -97.55 113.81 33.03 Favored 'Isoleucine or valine' 0 C--N 1.365 1.267 0 C-N-CA 125.624 1.57 . . . . 0.0 114.217 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 26.7 m -131.18 149.5 33.43 Favored 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 126.044 1.738 . . . . 0.0 110.095 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 t -121.68 139.91 52.96 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 127.297 2.239 . . . . 0.0 106.95 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.5 153.53 11.18 Favored 'General case' 0 C--N 1.362 1.128 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -173.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.2 mt -114.49 121.43 66.58 Favored 'Isoleucine or valine' 0 C--N 1.377 1.762 0 C-N-CA 125.803 1.641 . . . . 0.0 106.691 174.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -136.88 178.74 18.66 Favored Glycine 0 C--N 1.363 2.081 0 O-C-N 120.617 -1.302 . . . . 0.0 112.228 -176.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -123.91 97.21 41.47 Favored Pre-proline 0 C--N 1.361 1.068 0 C-N-CA 125.818 1.647 . . . . 0.0 108.339 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -88.05 155.68 7.09 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 124.271 3.314 . . . . 0.0 112.927 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 17.4 t -127.7 129.61 70.14 Favored 'Isoleucine or valine' 0 C--N 1.361 1.069 0 C-N-CA 126.286 1.835 . . . . 0.0 111.049 -176.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 . . . . . 0 C--N 1.365 1.267 0 C-N-CA 127.643 2.377 . . . . 0.0 108.896 172.11 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 . . . . . 0 N--CA 1.462 0.156 0 CA-C-O 121.714 0.769 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 88.7 mt -101.31 127.18 54.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 120.565 -1.335 . . . . 0.0 108.935 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.32 121.56 41.25 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 127.874 2.47 . . . . 0.0 106.771 174.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.481 ' HE ' HD21 ' A' ' 93' ' ' ASN . 81.6 ttt180 -124.38 138.62 54.35 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 125.504 1.522 . . . . 0.0 111.248 -173.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.497 HG22 HD12 ' A' ' 102' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.353 0.744 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 169.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.409 ' HB2' HH21 ' A' ' 111' ' ' ARG . 2.5 t70 . . . . . 0 C--O 1.242 0.672 0 CA-C-O 122.34 1.067 . . . . 0.0 112.06 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.0 t -97.86 116.17 39.76 Favored 'Isoleucine or valine' 0 C--N 1.37 1.468 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.0 mm -101.59 153.07 5.12 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 C-N-CA 127.279 2.231 . . . . 0.0 110.916 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.0 m -113.65 114.91 27.07 Favored 'General case' 0 C--N 1.375 1.676 0 O-C-N 121.236 -0.915 . . . . 0.0 108.732 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.458 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 97.6 m-85 -105.74 123.62 48.23 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 123.742 0.817 . . . . 0.0 110.118 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -131.01 146.36 52.36 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.022 1.729 . . . . 0.0 109.746 -176.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.4 p -117.43 168.77 10.07 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.943 1.697 . . . . 0.0 112.044 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 t80 . . . . . 0 C--N 1.359 0.979 0 N-CA-C 104.417 -2.438 . . . . 0.0 104.417 173.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 83.8 m95 . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.9 p -138.93 168.38 19.22 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 C-N-CA 125.335 1.454 . . . . 0.0 108.934 -173.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -89.56 146.09 24.82 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.004 1.722 . . . . 0.0 108.451 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -97.21 -56.56 2.5 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 124.564 1.146 . . . . 0.0 108.554 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.458 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 9.6 p90 -164.89 173.9 11.16 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.2 p -134.17 132.25 39.58 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 102.478 -3.156 . . . . 0.0 102.478 174.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.46 164.24 37.64 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -176.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.61 115.15 21.45 Favored 'General case' 0 C--N 1.366 1.299 0 O-C-N 120.28 -1.512 . . . . 0.0 107.782 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.71 145.15 4.42 Favored 'General case' 0 CA--C 1.497 -1.067 0 C-N-CA 119.169 -1.012 . . . . 0.0 108.309 -164.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -111.26 112.16 23.74 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 120.613 1.551 . . . . 0.0 108.792 172.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.8 t -95.74 127.19 47.99 Favored 'Isoleucine or valine' 0 C--N 1.375 1.714 1 N-CA-C 98.893 -4.484 . . . . 0.0 98.893 169.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -132.73 128.4 20.84 Favored Pre-proline 0 C--N 1.353 0.758 0 CA-C-O 115.583 -2.151 . . . . 0.0 109.818 -173.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -71.47 140.06 35.74 Favored 'Trans proline' 0 C--N 1.363 1.331 0 C-N-CA 125.201 3.934 . . . . 0.0 112.845 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.438 10.9 tt . . . . . 0 C--N 1.364 1.2 0 C-N-CA 129.569 3.147 . . . . 0.0 118.223 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.484 -1.893 0 CA-C-O 123.084 1.38 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -127.74 142.66 51.26 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 125.125 1.37 . . . . 0.0 109.189 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -138.1 123.89 19.93 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 103.524 -2.769 . . . . 0.0 103.524 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.25 148.38 30.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 C-N-CA 125.634 1.574 . . . . 0.0 113.483 -165.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.82 113.82 21.18 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 103.552 -2.759 . . . . 0.0 103.552 169.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.6 m -140.49 148.95 55.64 Favored Pre-proline 0 C--N 1.361 1.085 0 O-C-N 118.816 -2.427 . . . . 0.0 109.369 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -70.54 133.37 23.98 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 124.794 3.663 . . . . 0.0 111.676 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.27 2.7 t80 10.45 18.08 0.0 OUTLIER 'General case' 0 C--N 1.366 1.296 2 C-N-CA 137.324 6.25 . . . . 0.0 122.961 -176.09 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -95.47 137.7 34.17 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 128.585 2.754 . . . . 0.0 110.363 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -119.26 23.75 11.12 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 127.201 2.2 . . . . 0.0 111.495 -175.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -99.24 -43.91 6.44 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.827 ' H ' HD12 ' A' ' 102' ' ' ILE . 2.2 mp -12.51 -70.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.381 1.977 1 C-N-CA 136.058 5.743 . . . . 0.0 116.301 -179.483 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . 0.304 52.8 p30 -133.21 113.53 12.77 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 122.024 0.916 . . . . 0.0 108.851 167.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -169.04 43.57 0.03 OUTLIER 'General case' 0 C--N 1.355 0.839 0 N-CA-C 103.237 -2.875 . . . . 0.0 103.237 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? 84.1 82.81 0.03 OUTLIER 'General case' 0 C--N 1.371 1.543 0 C-N-CA 128.928 2.891 . . . . 0.0 109.663 -174.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 39.0 tpp -158.44 165.96 33.37 Favored 'General case' 0 C--N 1.36 1.057 0 O-C-N 120.825 -1.172 . . . . 0.0 108.262 -169.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -118.04 148.25 42.44 Favored 'General case' 0 C--N 1.366 1.32 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 167.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.5 p -138.94 150.13 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.1 tt -120.94 106.51 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.073 1 N-CA-C 100.152 -4.018 . . . . 0.0 100.152 164.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . 0.426 11.2 p90 -108.04 101.43 10.67 Favored 'General case' 0 C--N 1.373 1.627 0 C-N-CA 124.565 1.146 . . . . 0.0 110.829 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.409 HH21 ' HB2' ' A' ' 41' ' ' ASP . 27.7 ttm180 60.51 32.1 20.41 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 126.25 1.82 . . . . 0.0 114.698 -176.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.13 12.97 58.21 Favored Glycine 0 C--N 1.363 2.082 0 C-N-CA 125.547 1.546 . . . . 0.0 116.806 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -107.76 109.5 21.09 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 119.7 1.75 . . . . 0.0 109.361 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.8 mp -90.79 109.03 20.43 Favored 'Isoleucine or valine' 0 C--N 1.37 1.477 0 C-N-CA 125.394 1.478 . . . . 0.0 110.705 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.41 149.97 33.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 C-N-CA 125.33 1.452 . . . . 0.0 109.736 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -113.68 131.45 56.15 Favored 'General case' 0 C--N 1.363 1.186 0 N-CA-C 103.14 -2.911 . . . . 0.0 103.14 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -156.59 166.16 34.19 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -170.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 22.7 pt -133.06 162.8 39.4 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 C-N-CA 126.315 1.846 . . . . 0.0 109.101 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 179.36 -166.97 36.71 Favored Glycine 0 C--N 1.363 2.045 0 O-C-N 121.662 -0.649 . . . . 0.0 113.416 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -146.55 138.09 13.17 Favored Pre-proline 0 C--N 1.369 1.446 0 C-N-CA 126.276 1.83 . . . . 0.0 112.144 178.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -103.57 144.56 0.16 Allowed 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 124.781 3.654 . . . . 0.0 114.289 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 97.7 t -132.84 139.06 50.53 Favored 'Isoleucine or valine' 0 C--N 1.364 1.223 0 N-CA-C 105.834 -1.914 . . . . 0.0 105.834 174.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--N 1.368 1.373 0 O-C-N 120.073 -1.642 . . . . 0.0 110.536 178.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 . . . . . 0 C--O 1.226 -0.171 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 47.6 mm -106.0 131.82 54.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 O-C-N 121.099 -1.001 . . . . 0.0 111.052 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.9 m -114.23 140.67 48.38 Favored 'General case' 0 C--N 1.364 1.205 0 CA-C-O 124.405 2.05 . . . . 0.0 107.565 171.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -101.43 120.19 39.91 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 129.862 3.265 . . . . 0.0 108.752 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.4 mm . . . . . 0 C--N 1.355 0.837 0 N-CA-C 105.709 -1.96 . . . . 0.0 105.709 -178.111 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 . . . . . 0 N--CA 1.467 0.422 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -95.86 116.63 38.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.977 0 CA-C-O 124.3 2.0 . . . . 0.0 110.655 -172.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 110' ' ' TYR . 41.4 mm -103.42 158.06 5.02 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 C-N-CA 129.001 2.92 . . . . 0.0 110.845 -171.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.1 m -121.01 114.77 21.99 Favored 'General case' 0 C--N 1.373 1.593 0 O-C-N 120.469 -1.394 . . . . 0.0 108.667 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CG ' ' CZ ' ' A' ' 66' ' ' PHE . 42.3 m-85 -103.02 132.55 49.21 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 125.463 1.505 . . . . 0.0 110.501 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -129.9 148.55 51.78 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 125.568 1.547 . . . . 0.0 114.704 -172.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.9 p -123.76 156.05 36.75 Favored 'General case' 0 C--N 1.369 1.428 0 C-N-CA 127.791 2.436 . . . . 0.0 114.911 -176.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.4 t80 . . . . . 0 C--N 1.363 1.19 0 C-N-CA 126.844 2.058 . . . . 0.0 109.602 -179.573 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 49.0 m95 . . . . . 0 N--CA 1.438 -1.054 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.34 160.64 28.46 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -83.35 146.76 28.31 Favored 'General case' 0 C--N 1.364 1.224 0 C-N-CA 125.648 1.579 . . . . 0.0 111.342 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -97.39 -59.23 1.82 Allowed 'General case' 0 C--N 1.361 1.096 0 C-N-CA 125.394 1.478 . . . . 0.0 111.613 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.404 ' CZ ' ' CG ' ' A' ' 45' ' ' PHE . 12.6 p90 -162.54 173.58 13.8 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 -178.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.9 t -137.08 133.41 35.37 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 103.564 -2.754 . . . . 0.0 103.564 174.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.37 157.95 43.12 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.0 -1.062 . . . . 0.0 112.819 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.51 114.28 20.81 Favored 'General case' 0 C--N 1.369 1.423 0 O-C-N 120.271 -1.518 . . . . 0.0 109.263 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.74 170.33 10.97 Favored 'General case' 0 CA--C 1.496 -1.115 0 O-C-N 120.944 -1.097 . . . . 0.0 109.345 -164.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -122.87 108.87 13.47 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 174.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.596 HG12 ' HE2' ' A' ' 92' ' ' TYR . 12.4 t -110.77 96.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.371 1.503 0 N-CA-C 101.359 -3.571 . . . . 0.0 101.359 -177.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -112.76 139.5 22.89 Favored Pre-proline 0 C--N 1.357 0.919 0 O-C-N 119.008 -2.307 . . . . 0.0 116.525 -163.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -71.35 146.88 51.64 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 123.091 2.527 . . . . 0.0 113.624 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.328 69.6 mt . . . . . 0 C--N 1.356 0.86 0 C-N-CA 130.115 3.366 . . . . 0.0 116.939 171.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.408 0 N-CA-C 114.262 0.465 . . . . 0.0 114.262 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.596 ' HE2' HG12 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -111.56 132.34 54.61 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 126.55 1.94 . . . . 0.0 107.277 174.652 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.93 124.67 33.67 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 125.436 1.494 . . . . 0.0 109.371 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.566 HG12 HG13 ' A' ' 72' ' ' VAL . 4.1 mp -120.67 143.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 C-N-CA 125.2 1.4 . . . . 0.0 113.085 -171.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.251 0.0 OUTLIER -122.07 113.86 20.13 Favored 'General case' 0 C--N 1.366 1.305 0 N-CA-C 102.81 -3.033 . . . . 0.0 102.81 166.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.0 t -140.48 158.97 64.96 Favored Pre-proline 0 C--N 1.366 1.294 0 O-C-N 120.881 -1.137 . . . . 0.0 110.154 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -68.13 148.32 74.91 Favored 'Trans proline' 0 CA--C 1.557 1.641 0 C-N-CA 124.093 3.195 . . . . 0.0 111.781 163.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.253 2.4 t80 -8.48 27.88 0.0 OUTLIER 'General case' 0 C--N 1.365 1.256 2 C-N-CA 137.096 6.158 . . . . 0.0 124.535 -177.305 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -103.12 138.01 40.52 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 119.675 -1.89 . . . . 0.0 109.749 175.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -114.52 24.93 11.43 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 120.446 -1.409 . . . . 0.0 111.875 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -102.12 -39.88 7.07 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 116.862 2.171 . . . . 0.0 116.862 -173.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.911 ' H ' HD12 ' A' ' 102' ' ' ILE . 2.7 mp -13.13 -68.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.375 1.691 1 C-N-CA 135.462 5.505 . . . . 0.0 119.207 -179.313 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.93 110.92 15.42 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 103.826 -2.657 . . . . 0.0 103.826 171.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -174.14 39.96 0.01 OUTLIER 'General case' 0 C--N 1.352 0.691 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 87.0 tttt 84.46 73.92 0.02 OUTLIER 'General case' 0 C--N 1.369 1.45 0 C-N-CA 129.35 3.06 . . . . 0.0 107.5 -171.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.9 mmt -151.25 179.05 8.64 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 123.116 1.436 . . . . 0.0 109.754 -169.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -137.23 134.84 36.67 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 128.198 2.599 . . . . 0.0 104.65 174.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.584 HG11 HG11 ' A' ' 72' ' ' VAL . 60.7 t -128.39 141.2 47.16 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 O-C-N 119.68 -1.887 . . . . 0.0 106.364 177.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.5 mp -102.47 105.94 19.01 Favored 'Isoleucine or valine' 0 C--N 1.37 1.477 0 N-CA-C 100.838 -3.764 . . . . 0.0 100.838 170.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.468 ' HA ' HD12 ' A' ' 43' ' ' ILE . 21.0 t80 -102.38 91.58 4.32 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 129.94 3.296 . . . . 0.0 107.41 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 58.19 32.94 22.65 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 127.673 2.389 . . . . 0.0 116.293 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.08 3.79 65.27 Favored Glycine 0 C--N 1.363 2.033 0 C-N-CA 125.995 1.76 . . . . 0.0 116.219 -173.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -105.57 129.19 53.88 Favored 'General case' 0 C--N 1.361 1.088 0 CA-C-N 119.629 1.715 . . . . 0.0 107.407 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.8 tt -114.17 118.77 59.41 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 CA-C-O 122.127 0.965 . . . . 0.0 111.712 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.1 t -130.98 143.55 40.51 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 C-N-CA 125.53 1.532 . . . . 0.0 109.041 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 32.7 m -109.23 134.57 51.6 Favored 'General case' 0 C--N 1.378 1.818 0 C-N-CA 128.708 2.803 . . . . 0.0 107.668 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -167.14 172.6 9.85 Favored 'General case' 0 C--N 1.362 1.131 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -170.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.8 tp -124.92 156.72 33.61 Favored 'Isoleucine or valine' 0 C--N 1.366 1.302 0 C-N-CA 127.666 2.386 . . . . 0.0 110.186 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -170.15 -168.03 31.42 Favored Glycine 0 C--N 1.366 2.217 0 O-C-N 120.819 -1.176 . . . . 0.0 113.495 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -141.16 131.23 13.07 Favored Pre-proline 0 C--N 1.371 1.505 0 C-N-CA 127.803 2.441 . . . . 0.0 110.606 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -103.12 143.34 0.16 Allowed 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 124.545 3.496 . . . . 0.0 114.704 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.35 139.65 49.56 Favored 'Isoleucine or valine' 0 C--N 1.367 1.366 0 C-N-CA 125.169 1.388 . . . . 0.0 108.461 172.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 C--N 1.359 0.979 0 O-C-N 119.388 -2.07 . . . . 0.0 113.415 -179.436 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 . . . . . 0 N--CA 1.469 0.498 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 13.7 pt -116.92 137.13 51.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 CA-C-O 122.742 1.258 . . . . 0.0 113.977 -170.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 26.8 m -115.23 141.02 48.59 Favored 'General case' 0 C--N 1.368 1.394 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 175.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -120.49 137.18 54.5 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-O 124.425 2.06 . . . . 0.0 106.744 176.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 CA--C 1.503 -0.845 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 -175.73 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 N--CA 1.475 0.775 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -105.38 115.59 47.49 Favored 'Isoleucine or valine' 0 C--N 1.372 1.566 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 172.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -113.14 161.77 11.82 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 C-N-CA 125.66 1.584 . . . . 0.0 113.82 -167.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 m -105.6 113.42 26.97 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 127.623 2.369 . . . . 0.0 108.704 174.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.637 ' CE1' HG22 ' A' ' 102' ' ' ILE . 98.3 m-85 -111.36 125.04 53.43 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.398 0.999 . . . . 0.0 113.012 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -123.84 149.19 46.04 Favored 'General case' 0 C--N 1.371 1.51 0 C-N-CA 125.265 1.426 . . . . 0.0 112.189 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.2 p -115.19 165.25 13.14 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.909 2.484 . . . . 0.0 111.313 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.8 t80 . . . . . 0 C--N 1.368 1.397 0 C-N-CA 125.304 1.441 . . . . 0.0 110.041 -179.215 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 94.2 m95 . . . . . 0 N--CA 1.443 -0.78 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.4 t -118.97 151.12 21.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 125.631 1.572 . . . . 0.0 107.255 -174.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -64.74 137.43 57.79 Favored 'General case' 0 C--N 1.367 1.334 0 C-N-CA 127.233 2.213 . . . . 0.0 114.816 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -101.16 -45.98 5.2 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 128.944 2.898 . . . . 0.0 107.827 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.406 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 1.6 p90 -171.06 177.4 3.7 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 103.725 -2.695 . . . . 0.0 103.725 -178.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.8 t -141.32 131.68 25.14 Favored 'General case' 0 CA--C 1.502 -0.874 1 N-CA-C 98.089 -4.782 . . . . 0.0 98.089 169.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.75 165.04 35.25 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -174.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.37 114.57 20.92 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 128.155 2.582 . . . . 0.0 109.395 174.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.15 160.39 43.41 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 -173.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -104.48 104.0 13.78 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 102.904 -2.999 . . . . 0.0 102.904 169.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.487 HG13 HD13 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -111.06 114.46 47.18 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 1 N-CA-C 97.044 -5.169 . . . . 0.0 97.044 179.749 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.99 140.39 23.98 Favored Pre-proline 0 C--N 1.368 1.401 0 CA-C-N 120.858 1.663 . . . . 0.0 110.76 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -72.05 133.64 21.83 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 124.271 3.314 . . . . 0.0 108.373 164.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.7 tp . . . . . 0 C--N 1.354 0.784 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 -174.89 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.069 0 N-CA-C 108.47 -1.852 . . . . 0.0 108.47 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -106.54 142.43 36.21 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-O 123.407 1.575 . . . . 0.0 110.362 174.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -116.62 119.49 35.68 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 104.089 -2.559 . . . . 0.0 104.089 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.806 HG23 HG23 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -150.23 130.66 4.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 O-C-N 119.902 -1.748 . . . . 0.0 111.941 -171.585 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.259 2.9 p90 -126.14 146.46 49.94 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.288 1.835 . . . . 0.0 107.035 169.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.405 HG22 ' HD2' ' A' ' 97' ' ' PRO . 0.9 OUTLIER -137.87 153.98 74.16 Favored Pre-proline 0 C--N 1.353 0.76 0 C-N-CA 126.57 1.948 . . . . 0.0 106.387 -175.429 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.405 ' HD2' HG22 ' A' ' 96' ' ' THR . 94.6 Cg_endo -71.92 126.59 12.05 Favored 'Trans proline' 0 CA--C 1.558 1.698 0 C-N-CA 123.02 2.48 . . . . 0.0 108.823 161.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.296 0.5 OUTLIER 18.82 19.07 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.108 2 C-N-CA 134.827 5.251 . . . . 0.0 124.889 -176.148 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -103.74 128.99 51.07 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 126.982 2.113 . . . . 0.0 109.26 176.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -104.66 37.29 2.17 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 125.673 1.589 . . . . 0.0 108.536 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.403 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 95.6 mtt180 -102.14 -49.31 3.95 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 -168.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.735 HG21 HD11 ' A' ' 94' ' ' ILE . 1.0 OUTLIER -13.7 -71.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.39 2.343 1 C-N-CA 132.447 4.299 . . . . 0.0 119.982 173.646 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.434 ' H ' ' CD1' ' A' ' 102' ' ' ILE 0.283 12.9 p-10 -133.31 113.24 12.37 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.783 1.233 . . . . 0.0 109.848 165.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -173.18 55.89 0.02 OUTLIER 'General case' 0 C--N 1.352 0.684 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 82.72 62.64 0.02 OUTLIER 'General case' 0 C--N 1.37 1.477 0 C-N-CA 129.653 3.181 . . . . 0.0 110.108 -173.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.2 mmt -137.13 162.44 33.4 Favored 'General case' 0 C--N 1.362 1.117 0 CA-C-O 123.02 1.39 . . . . 0.0 112.362 -171.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -130.08 123.52 30.62 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 101.77 -3.419 . . . . 0.0 101.77 171.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.9 m -128.02 152.57 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.751 0 CA-C-O 122.868 1.318 . . . . 0.0 108.801 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.7 mt -117.59 105.99 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 N-CA-C 101.095 -3.668 . . . . 0.0 101.095 168.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.86 124.79 53.1 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 103.597 -2.742 . . . . 0.0 103.597 174.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 48.48 31.96 3.11 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 128.659 2.784 . . . . 0.0 117.387 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.6 10.36 79.6 Favored Glycine 0 C--N 1.359 1.83 0 C-N-CA 126.195 1.855 . . . . 0.0 116.335 -175.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -110.26 126.65 54.4 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-N 120.005 1.903 . . . . 0.0 109.25 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.39 118.0 44.24 Favored 'Isoleucine or valine' 0 C--N 1.37 1.464 0 C-N-CA 124.724 1.21 . . . . 0.0 110.192 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.5 m -131.41 152.51 37.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 C-N-CA 125.752 1.621 . . . . 0.0 109.659 177.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.3 t -123.82 133.66 53.76 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 126.888 2.075 . . . . 0.0 105.59 176.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -169.45 160.14 9.02 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 123.929 0.892 . . . . 0.0 112.151 -171.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.39 132.54 60.42 Favored 'Isoleucine or valine' 0 C--N 1.361 1.09 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 177.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -130.4 -174.38 13.67 Favored Glycine 0 C--N 1.364 2.084 0 C-N-CA 124.413 1.006 . . . . 0.0 112.774 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -134.88 83.93 39.38 Favored Pre-proline 0 C--N 1.36 1.045 0 C-N-CA 126.861 2.064 . . . . 0.0 109.815 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -75.87 134.27 16.21 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 124.736 3.624 . . . . 0.0 115.087 -171.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.3 p -116.34 139.2 44.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.965 0 C-N-CA 124.775 1.23 . . . . 0.0 111.27 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 C--N 1.363 1.183 0 C-N-CA 127.181 2.193 . . . . 0.0 111.937 177.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 . . . . . 0 CA--C 1.53 0.18 0 N-CA-C 117.648 2.462 . . . . 0.0 117.648 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 75.9 mt -116.71 129.8 72.63 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 C-N-CA 127.573 2.349 . . . . 0.0 110.444 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.0 p -113.37 128.82 56.59 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 127.342 2.257 . . . . 0.0 107.843 170.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 53.6 ttt85 -124.5 137.79 54.39 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 120.382 -1.449 . . . . 0.0 111.566 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.806 HG23 HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.351 0.667 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 175.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.559 ' HB3' ' HE ' ' A' ' 111' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.239 0.509 0 CA-C-O 123.025 1.393 . . . . 0.0 108.653 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.31 115.88 49.64 Favored 'Isoleucine or valine' 0 C--N 1.365 1.239 0 N-CA-C 103.742 -2.688 . . . . 0.0 103.742 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 110' ' ' TYR . 33.7 mm -102.41 158.89 4.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 C-N-CA 125.776 1.631 . . . . 0.0 111.474 -167.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.72 109.46 16.12 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 125.423 1.489 . . . . 0.0 108.38 -178.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.604 ' CE2' HG22 ' A' ' 102' ' ' ILE . 40.5 m-85 -102.59 130.4 49.45 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 124.872 1.269 . . . . 0.0 112.844 -176.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -139.77 170.05 16.6 Favored 'General case' 0 C--N 1.374 1.667 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -173.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -141.73 165.86 26.33 Favored 'General case' 0 C--N 1.372 1.548 0 CA-C-O 122.337 1.065 . . . . 0.0 111.383 -176.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.5 t80 . . . . . 0 C--N 1.354 0.774 0 C-N-CA 127.124 2.17 . . . . 0.0 105.453 176.888 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 72.6 m95 . . . . . 0 N--CA 1.437 -1.089 0 N-CA-C 106.252 -1.758 . . . . 0.0 106.252 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.5 t -135.23 149.37 28.78 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 C-N-CA 127.472 2.309 . . . . 0.0 107.575 -173.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -95.75 136.2 36.47 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 126.279 1.832 . . . . 0.0 109.245 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -92.54 -55.89 3.23 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 124.987 1.315 . . . . 0.0 112.503 -172.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 6.0 p90 -168.88 176.88 5.25 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 -177.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -136.81 133.53 36.01 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 104.421 -2.437 . . . . 0.0 104.421 171.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.74 155.38 42.92 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.39 114.77 21.07 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 127.161 2.184 . . . . 0.0 105.216 173.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -166.69 155.0 10.14 Favored 'General case' 0 CA--C 1.476 -1.892 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 -163.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -97.29 108.44 21.16 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 104.162 -2.533 . . . . 0.0 104.162 171.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.517 HG22 HD13 ' A' ' 94' ' ' ILE . 2.1 t -123.37 98.42 5.55 Favored 'Isoleucine or valine' 0 C--N 1.364 1.211 1 N-CA-C 97.414 -5.032 . . . . 0.0 97.414 178.842 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -137.85 153.46 73.79 Favored Pre-proline 0 C--N 1.369 1.423 0 O-C-N 120.397 -1.44 . . . . 0.0 111.734 -167.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.19 140.94 38.43 Favored 'Trans proline' 0 C--N 1.367 1.534 1 C-N-CA 125.624 4.216 . . . . 0.0 113.908 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.31 57.8 mt . . . . . 0 C--N 1.365 1.265 1 C-N-CA 133.2 4.6 . . . . 0.0 115.988 179.53 . . . . . . . . 2 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.346 0 N-CA-C 108.531 -1.828 . . . . 0.0 108.531 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -127.66 143.53 51.15 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 125.799 1.639 . . . . 0.0 106.949 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -128.39 120.97 28.01 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 100.882 -3.748 . . . . 0.0 100.882 175.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.517 HD13 HG22 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -140.07 126.0 21.55 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 CA-C-O 122.87 1.319 . . . . 0.0 109.967 -166.782 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.295 0.1 OUTLIER -129.45 128.73 43.52 Favored 'General case' 0 C--N 1.369 1.414 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 171.61 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.4 t -139.75 157.16 70.4 Favored Pre-proline 0 C--N 1.347 0.49 0 C-N-CA 128.192 2.597 . . . . 0.0 106.715 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -71.71 144.89 45.12 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 123.814 3.009 . . . . 0.0 110.656 166.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.297 0.2 OUTLIER 6.01 22.99 0.0 OUTLIER 'General case' 0 C--N 1.359 0.98 2 C-N-CA 137.873 6.469 . . . . 0.0 125.376 -175.676 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -103.5 129.91 50.77 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 127.832 2.453 . . . . 0.0 109.414 175.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -105.61 15.5 26.87 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 127.279 2.232 . . . . 0.0 108.77 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.462 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 28.8 mmm180 -99.18 2.05 45.46 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 129.154 2.982 . . . . 0.0 118.113 -168.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.604 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -68.28 -73.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.139 0 C-N-CA 128.887 2.875 . . . . 0.0 114.704 173.397 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -120.96 124.51 45.08 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 126.512 1.925 . . . . 0.0 109.351 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -143.58 -71.33 0.3 Allowed 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 102.328 -3.212 . . . . 0.0 102.328 173.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.409 ' H ' ' HG3' ' A' ' 106' ' ' MET . 24.9 ttmm -162.98 77.75 0.45 Allowed 'General case' 0 N--CA 1.448 -0.531 1 N-CA-C 98.983 -4.451 . . . . 0.0 98.983 173.635 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.409 ' HG3' ' H ' ' A' ' 105' ' ' LYS . 82.5 mtp -149.16 -178.37 6.35 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 125.382 1.473 . . . . 0.0 108.595 -165.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -128.5 137.45 51.79 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 124.888 1.275 . . . . 0.0 108.411 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 72' ' ' VAL . 47.6 t -129.54 146.55 34.0 Favored 'Isoleucine or valine' 0 C--N 1.358 0.965 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 175.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.5 pt -121.16 111.39 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 171.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.411 ' HA ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -95.04 111.64 23.42 Favored 'General case' 0 C--N 1.373 1.587 0 C-N-CA 127.658 2.383 . . . . 0.0 104.8 173.085 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.559 ' HE ' ' HB3' ' A' ' 41' ' ' ASP . 98.2 mtt180 45.77 32.31 1.21 Allowed 'General case' 0 C--N 1.368 1.396 0 N-CA-C 118.549 2.796 . . . . 0.0 118.549 -177.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.54 5.41 65.05 Favored Glycine 0 C--N 1.361 1.958 0 C-N-CA 125.536 1.541 . . . . 0.0 115.744 -173.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -99.86 113.07 25.36 Favored 'General case' 0 C--N 1.365 1.246 0 CA-C-N 119.688 1.744 . . . . 0.0 109.797 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.729 ' H ' HD13 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -79.2 114.17 19.58 Favored 'Isoleucine or valine' 0 C--N 1.365 1.272 0 C-N-CA 130.593 3.557 . . . . 0.0 115.022 -176.838 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 25.1 t -131.69 137.79 54.33 Favored 'Isoleucine or valine' 0 C--N 1.362 1.14 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.7 t -118.26 129.65 55.59 Favored 'General case' 0 C--N 1.366 1.324 0 N-CA-C 104.497 -2.408 . . . . 0.0 104.497 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -158.19 161.36 37.83 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 -170.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.478 HD13 ' H ' ' A' ' 118' ' ' ILE . 0.2 OUTLIER -106.11 136.36 40.88 Favored 'Isoleucine or valine' 0 C--N 1.369 1.444 0 C-N-CA 127.67 2.388 . . . . 0.0 110.074 174.785 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -162.82 -178.13 36.39 Favored Glycine 0 C--N 1.365 2.163 0 O-C-N 119.912 -1.742 . . . . 0.0 111.148 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -151.81 127.5 4.98 Favored Pre-proline 0 C--N 1.369 1.428 0 CA-C-N 118.481 1.14 . . . . 0.0 109.467 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -93.53 159.0 2.42 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.859 3.706 . . . . 0.0 114.148 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 15.0 m -130.2 134.36 62.75 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 C-N-CA 126.118 1.767 . . . . 0.0 107.219 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 . . . . . 0 C--N 1.366 1.3 0 O-C-N 120.588 -1.32 . . . . 0.0 111.674 178.794 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 . . . . . 0 C--O 1.225 -0.226 0 CA-C-O 122.155 0.978 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 17.8 tt -112.55 129.16 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 O-C-N 120.337 -1.477 . . . . 0.0 111.064 -174.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.9 p -108.12 126.26 52.56 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 174.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -124.09 135.42 53.53 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 105.288 -2.116 . . . . 0.0 105.288 -175.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.519 HG21 HD11 ' A' ' 102' ' ' ILE . 2.2 tt . . . . . 0 C--N 1.349 0.577 0 CA-C-O 122.39 1.09 . . . . 0.0 109.351 -173.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 . . . . . 0 N--CA 1.467 0.408 0 CA-C-O 121.132 0.491 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.35 131.2 44.75 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 C-N-CA 126.195 1.798 . . . . 0.0 106.313 175.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.1 mp -126.03 151.82 32.67 Favored 'Isoleucine or valine' 0 C--N 1.363 1.177 0 C-N-CA 124.981 1.312 . . . . 0.0 108.272 -176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.51 112.51 19.04 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 123.543 0.737 . . . . 0.0 111.585 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.453 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 77.5 m-85 -101.23 128.81 47.19 Favored 'General case' 0 C--N 1.363 1.178 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -138.2 168.94 18.68 Favored 'General case' 0 C--N 1.373 1.605 0 C-N-CA 125.569 1.548 . . . . 0.0 113.261 173.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.3 t -138.67 167.41 22.03 Favored 'General case' 0 C--N 1.369 1.456 0 C-N-CA 125.724 1.61 . . . . 0.0 112.512 176.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.37 1.457 0 C-N-CA 128.796 2.838 . . . . 0.0 104.459 177.88 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 84.8 m95 . . . . . 0 CA--C 1.539 0.548 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 m -143.25 156.19 17.05 Favored 'Isoleucine or valine' 0 C--N 1.364 1.21 0 C-N-CA 127.761 2.425 . . . . 0.0 106.181 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -85.15 146.2 27.24 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 126.204 1.802 . . . . 0.0 112.216 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -99.23 -56.34 2.44 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 125.695 1.598 . . . . 0.0 111.735 -175.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.453 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 15.7 p90 -166.91 171.83 10.88 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 -179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.5 t -141.37 132.88 26.91 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 101.129 -3.656 . . . . 0.0 101.129 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.5 161.04 40.04 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -87.88 114.16 24.23 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 172.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.11 170.8 2.63 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 125.07 1.348 . . . . 0.0 107.463 -165.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . 0.279 44.7 t60 -141.04 130.74 24.16 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 123.82 1.771 . . . . 0.0 106.531 169.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.594 HG11 HG21 ' A' ' 108' ' ' VAL . 55.4 t -125.23 97.93 4.76 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 C-N-CA 128.625 2.77 . . . . 0.0 103.943 -166.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . 0.303 8.3 mt-30 -142.94 173.64 4.38 Favored Pre-proline 0 C--N 1.374 1.653 0 O-C-N 119.688 -1.882 . . . . 0.0 113.344 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.501 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 55.3 Cg_exo -61.4 157.08 42.67 Favored 'Trans proline' 0 CA--C 1.561 1.826 1 C-N-CA 126.416 4.744 . . . . 0.0 118.308 178.421 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.258 14.0 tt . . . . . 0 C--N 1.367 1.367 0 C-N-CA 129.838 3.255 . . . . 0.0 119.501 -177.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.243 0 CA-C-O 122.344 0.969 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 74' ' ' PRO . 14.6 m-85 -108.95 148.16 31.14 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 127.165 2.186 . . . . 0.0 112.454 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -134.9 119.96 18.69 Favored 'General case' 0 C--N 1.362 1.139 0 N-CA-C 104.324 -2.473 . . . . 0.0 104.324 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.566 HD12 HG13 ' A' ' 72' ' ' VAL . 3.8 mm -141.0 140.53 32.55 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 CA-C-N 114.434 -1.257 . . . . 0.0 112.762 -164.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.369 0.7 OUTLIER -131.31 137.76 48.94 Favored 'General case' 0 C--N 1.374 1.666 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 161.474 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.1 t -140.84 160.24 59.27 Favored Pre-proline 0 C--N 1.357 0.905 0 N-CA-C 105.28 -2.119 . . . . 0.0 105.28 175.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -66.87 131.25 25.12 Favored 'Trans proline' 0 C--N 1.365 1.416 0 C-N-CA 124.603 3.535 . . . . 0.0 109.755 162.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.432 1.6 t80 33.55 137.44 0.0 OUTLIER 'General case' 0 C--N 1.36 1.043 2 C-N-CA 135.349 5.46 . . . . 0.0 121.82 -172.986 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . 0.28 9.6 p-10 -58.88 90.22 0.01 OUTLIER 'General case' 0 C--N 1.367 1.349 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 -176.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -101.55 -124.84 0.18 Allowed 'General case' 0 C--N 1.354 0.789 0 C-N-CA 127.185 2.194 . . . . 0.0 105.678 173.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 73.3 mmt-85 -101.6 -51.84 3.36 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 119.548 -1.97 . . . . 0.0 115.562 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.442 ' HA ' ' CE1' ' A' ' 45' ' ' PHE 0.329 3.7 mp 71.01 -83.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.38 1.925 0 CA-C-N 121.718 2.054 . . . . 0.0 109.733 -174.445 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -110.04 -173.1 2.18 Favored 'General case' 0 C--N 1.348 0.524 1 C-N-CA 133.003 4.521 . . . . 0.0 109.449 173.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.8 tttm 94.91 56.71 0.0 OUTLIER 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.514 2.325 . . . . 0.0 111.656 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 67.6 tttt 80.26 38.78 0.09 Allowed 'General case' 0 C--N 1.365 1.257 0 C-N-CA 127.593 2.357 . . . . 0.0 110.768 -174.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 15.1 mmt -111.12 146.77 36.24 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 122.439 1.114 . . . . 0.0 110.028 -176.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -112.04 106.56 15.25 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 101.838 -3.393 . . . . 0.0 101.838 173.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.594 HG21 HG11 ' A' ' 72' ' ' VAL . 3.3 p -110.48 144.91 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.309 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -175.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.561 HG22 ' H ' ' A' ' 112' ' ' GLY . 30.7 mt -114.29 106.61 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.621 0 O-C-N 124.869 1.356 . . . . 0.0 107.968 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.27 83.54 4.25 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 169.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 58.66 44.24 17.68 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.083 2.153 . . . . 0.0 116.32 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.561 ' H ' HG22 ' A' ' 109' ' ' ILE . . . 92.87 23.25 25.99 Favored Glycine 0 C--N 1.36 1.862 0 C-N-CA 125.529 1.538 . . . . 0.0 116.324 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -118.69 101.83 8.4 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 125.589 1.555 . . . . 0.0 107.941 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.576 ' H ' HD13 ' A' ' 114' ' ' ILE . 0.1 OUTLIER -85.93 106.51 15.52 Favored 'Isoleucine or valine' 0 C--N 1.377 1.769 0 C-N-CA 127.488 2.315 . . . . 0.0 113.0 -177.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.8 t -118.76 132.89 67.31 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 O-C-N 120.201 -1.562 . . . . 0.0 109.016 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.2 m -99.96 118.37 36.22 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 125.912 1.685 . . . . 0.0 109.121 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.57 159.45 43.42 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 -174.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.41 136.57 60.41 Favored 'Isoleucine or valine' 0 C--N 1.362 1.113 0 C-N-CA 129.458 3.103 . . . . 0.0 109.07 -177.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 166.15 -168.51 39.89 Favored Glycine 0 C--N 1.366 2.207 0 N-CA-C 105.374 -3.09 . . . . 0.0 105.374 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -153.52 140.08 12.73 Favored Pre-proline 0 C--N 1.372 1.557 0 CA-C-N 121.354 2.577 . . . . 0.0 112.119 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -93.55 159.69 2.4 Favored 'Trans proline' 0 CA--C 1.549 1.268 1 C-N-CA 126.552 4.834 . . . . 0.0 114.782 176.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 17.0 m -127.88 149.16 32.58 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 128.65 2.78 . . . . 0.0 107.918 174.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.361 1.1 0 O-C-N 119.07 -2.269 . . . . 0.0 112.165 176.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . 0.319 24.8 tt0 . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 13.0 mt -125.12 143.02 40.18 Favored 'Isoleucine or valine' 0 C--N 1.36 1.052 0 CA-C-O 123.606 1.67 . . . . 0.0 113.266 -171.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 9.7 t -102.72 134.77 45.54 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 127.806 2.442 . . . . 0.0 109.202 166.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -109.41 119.0 38.11 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 129.121 2.968 . . . . 0.0 103.273 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.416 HG23 ' HB ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 -177.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.496 ' HB2' ' CE1' ' A' ' 71' ' ' HIS . 27.4 m-20 . . . . . 0 CA--C 1.5 -0.95 0 N-CA-C 103.37 -2.826 . . . . 0.0 103.37 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.2 m -96.73 144.24 10.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 O-C-N 121.323 -0.86 . . . . 0.0 111.557 -174.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.481 HG22 ' H ' ' A' ' 111' ' ' ARG . 13.1 pt -147.62 160.72 7.91 Favored 'Isoleucine or valine' 0 C--N 1.371 1.527 0 C-N-CA 127.071 2.148 . . . . 0.0 108.624 178.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.1 m -117.64 127.78 54.29 Favored 'General case' 0 C--N 1.385 2.12 0 C-N-CA 124.058 0.943 . . . . 0.0 111.522 -177.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.478 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 77.3 m-85 -106.4 130.0 54.29 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.766 1.226 . . . . 0.0 112.991 178.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -129.42 155.63 45.38 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 128.258 2.623 . . . . 0.0 110.547 -175.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.3 m -135.68 155.75 49.92 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 126.036 1.734 . . . . 0.0 108.416 173.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 . . . . . 0 C--N 1.364 1.23 0 C-N-CA 127.619 2.368 . . . . 0.0 109.626 -176.621 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 29.2 m95 . . . . . 0 N--CA 1.444 -0.738 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.48 164.16 31.8 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -89.54 146.07 24.84 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 124.361 1.065 . . . . 0.0 110.547 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -97.05 -59.81 1.71 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 123.775 0.83 . . . . 0.0 109.622 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.546 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 4.4 p90 -167.18 171.73 10.59 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 t -132.22 132.85 43.5 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 101.661 -3.459 . . . . 0.0 101.661 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.2 164.04 38.17 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -177.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -87.82 113.93 23.95 Favored 'General case' 0 C--N 1.372 1.566 0 N-CA-C 105.235 -2.135 . . . . 0.0 105.235 168.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.439 ' HB2' HG23 ' A' ' 96' ' ' THR . . . -169.26 170.5 8.54 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 104.98 -2.23 . . . . 0.0 104.98 -170.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.496 ' CE1' ' HB2' ' A' ' 41' ' ' ASP 0.267 0.1 OUTLIER -146.1 136.21 23.67 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 169.625 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.606 HG22 HG12 ' A' ' 94' ' ' ILE . 8.0 t -108.62 101.54 12.7 Favored 'Isoleucine or valine' 0 C--N 1.365 1.263 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 -176.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -112.85 132.55 22.25 Favored Pre-proline 0 C--N 1.36 1.039 0 O-C-N 118.136 -2.852 . . . . 0.0 112.342 -170.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.04 128.76 13.41 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 122.799 2.333 . . . . 0.0 111.936 172.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.9 mt . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 178.79 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.479 -2.212 0 CA-C-O 122.771 1.206 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.406 ' CD1' HG12 ' A' ' 72' ' ' VAL . 16.5 m-85 -123.09 126.86 47.87 Favored 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 125.101 1.36 . . . . 0.0 111.486 -178.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -109.3 119.56 39.85 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 103.219 -2.882 . . . . 0.0 103.219 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.606 HG12 HG22 ' A' ' 72' ' ' VAL . 2.7 mp -129.47 148.88 33.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 O-C-N 119.895 -1.753 . . . . 0.0 112.176 -170.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.267 0.0 OUTLIER -129.39 139.55 51.64 Favored 'General case' 0 C--N 1.363 1.163 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 168.524 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.444 HG21 ' HB2' ' A' ' 99' ' ' ASP . 52.4 m -139.6 138.12 19.72 Favored Pre-proline 0 C--N 1.353 0.734 0 N-CA-C 101.392 -3.559 . . . . 0.0 101.392 170.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.54 125.04 12.26 Favored 'Trans proline' 0 C--N 1.365 1.404 0 CA-C-N 126.861 3.486 . . . . 0.0 108.202 169.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.416 0.5 OUTLIER 34.99 17.58 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.583 2 C-N-CA 135.516 5.526 . . . . 0.0 122.006 -170.702 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.444 ' HB2' HG21 ' A' ' 96' ' ' THR . 56.5 m-20 -103.54 128.58 50.74 Favored 'General case' 0 C--N 1.36 1.05 0 O-C-N 119.567 -1.958 . . . . 0.0 109.936 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -110.31 23.0 14.85 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 126.011 1.724 . . . . 0.0 113.327 -174.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.546 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 36.3 mmt180 -94.45 -50.08 5.38 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 116.691 2.108 . . . . 0.0 116.691 -171.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.456 HD13 HG13 ' A' ' 133' ' ' ILE . 4.1 mp -0.9 -71.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.379 1.862 1 C-N-CA 132.57 4.348 . . . . 0.0 121.372 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -124.59 112.1 16.43 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 126.317 1.847 . . . . 0.0 106.767 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 80.4 tttt 178.22 56.03 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.268 62.8 mttp 73.37 50.79 0.13 Allowed 'General case' 0 C--N 1.364 1.198 0 C-N-CA 128.635 2.774 . . . . 0.0 111.901 -175.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 23.5 ptp -160.81 -172.03 3.33 Favored 'General case' 0 C--N 1.361 1.102 0 O-C-N 121.989 -0.444 . . . . 0.0 111.913 -174.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -137.08 139.7 41.48 Favored 'General case' 0 C--N 1.362 1.138 0 CA-C-O 123.952 1.834 . . . . 0.0 115.684 -174.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.436 HG11 HG21 ' A' ' 72' ' ' VAL . 7.6 p -115.25 137.22 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-O 123.411 1.577 . . . . 0.0 109.082 176.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.1 tt -102.43 105.82 18.79 Favored 'Isoleucine or valine' 0 C--N 1.364 1.204 0 N-CA-C 101.036 -3.69 . . . . 0.0 101.036 163.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -96.82 106.78 19.15 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 129.555 3.142 . . . . 0.0 105.399 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.481 ' H ' HG22 ' A' ' 43' ' ' ILE . 2.4 tpm_? 45.21 32.99 1.05 Allowed 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 118.449 2.759 . . . . 0.0 118.449 178.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.24 4.71 64.29 Favored Glycine 0 C--N 1.367 2.281 0 C-N-CA 127.622 2.535 . . . . 0.0 116.54 -171.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -110.16 118.42 36.32 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 119.986 1.893 . . . . 0.0 109.139 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 10.7 tt -92.61 106.47 17.88 Favored 'Isoleucine or valine' 0 C--N 1.365 1.262 0 CA-C-O 123.709 1.718 . . . . 0.0 111.417 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.99 164.08 36.25 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 C-N-CA 129.379 3.072 . . . . 0.0 113.569 -173.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . 0.68 44.7 p 120.85 -118.77 0.0 OUTLIER 'General case' 0 C--N 1.376 1.752 1 N-CA-C 122.94 4.422 . . . . 0.0 122.94 161.701 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . 0.605 2.7 m-85 90.59 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.355 0.824 0 C-N-CA 129.378 3.071 . . . . 0.0 118.597 -175.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 10.9 mm -96.52 108.62 21.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 CA-C-N 122.606 2.457 . . . . 0.0 115.24 -175.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.62 174.85 21.6 Favored Glycine 0 C--N 1.368 2.354 0 C-N-CA 125.22 1.39 . . . . 0.0 114.079 173.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -135.01 134.54 21.8 Favored Pre-proline 0 C--N 1.371 1.521 0 C-N-CA 126.877 2.071 . . . . 0.0 112.62 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -91.4 141.43 2.77 Favored 'Trans proline' 0 C--N 1.367 1.548 0 C-N-CA 124.858 3.705 . . . . 0.0 116.835 -176.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.1 t -132.01 144.26 37.71 Favored 'Isoleucine or valine' 0 C--N 1.376 1.735 0 C-N-CA 127.811 2.444 . . . . 0.0 107.878 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.366 1.304 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 174.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . 0.371 14.7 tp10 . . . . . 0 N--CA 1.463 0.2 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.4 mm -106.47 125.51 62.26 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 O-C-N 119.385 -2.072 . . . . 0.0 112.871 -177.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 78.7 m -106.82 135.9 47.58 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 125.309 1.443 . . . . 0.0 108.015 171.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -121.29 129.26 53.03 Favored 'General case' 0 C--N 1.371 1.537 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 174.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.456 HG13 HD13 ' A' ' 102' ' ' ILE . 45.6 mm . . . . . 0 C--N 1.35 0.619 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.2 t70 . . . . . 0 C--O 1.24 0.558 0 CA-C-O 121.98 0.895 . . . . 0.0 113.262 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.5 t -97.37 115.69 37.78 Favored 'Isoleucine or valine' 0 C--N 1.376 1.749 0 C-N-CA 127.357 2.263 . . . . 0.0 104.985 174.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.445 ' CG2' HH12 ' A' ' 101' ' ' ARG 0.254 24.3 mt -111.77 166.83 5.79 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 O-C-N 120.15 -1.594 . . . . 0.0 109.898 -171.359 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.5 m -122.08 106.9 11.6 Favored 'General case' 0 C--N 1.372 1.546 0 O-C-N 119.92 -1.738 . . . . 0.0 113.133 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -82.06 139.22 34.59 Favored 'General case' 0 C--N 1.37 1.469 0 O-C-N 120.602 -1.311 . . . . 0.0 113.571 165.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -131.68 148.83 52.62 Favored 'General case' 0 C--N 1.381 1.974 0 C-N-CA 127.456 2.303 . . . . 0.0 109.432 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.3 t -121.93 166.14 14.88 Favored 'General case' 0 C--N 1.363 1.174 0 O-C-N 119.802 -1.811 . . . . 0.0 110.39 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.3 t80 . . . . . 0 C--N 1.358 0.974 0 C-N-CA 126.592 1.957 . . . . 0.0 109.18 -176.252 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.9 m95 . . . . . 0 N--CA 1.445 -0.684 0 CA-C-O 122.394 1.092 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.4 t -124.06 147.65 28.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 C-N-CA 126.486 1.914 . . . . 0.0 107.533 -173.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -57.36 127.39 31.77 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 128.443 2.697 . . . . 0.0 113.031 177.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -99.3 -59.31 1.75 Allowed 'General case' 0 C--N 1.359 0.99 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.449 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 41.8 p90 -163.42 164.87 24.43 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 t -126.88 132.8 50.84 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.72 ' HB3' ' HE ' ' A' ' 101' ' ' ARG . . . -156.72 165.55 35.92 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.66 -176.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -88.8 139.55 30.35 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 124.87 1.268 . . . . 0.0 111.93 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.51 ' HB2' ' CD ' ' A' ' 101' ' ' ARG . . . -172.93 170.73 4.44 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-O 122.503 1.144 . . . . 0.0 108.394 -172.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -103.06 107.17 17.87 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 103.885 -2.635 . . . . 0.0 103.885 166.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.45 HG21 HG21 ' A' ' 108' ' ' VAL . 3.1 t -116.18 106.44 20.36 Favored 'Isoleucine or valine' 0 C--N 1.365 1.264 1 N-CA-C 96.75 -5.278 . . . . 0.0 96.75 175.299 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -130.75 162.71 53.46 Favored Pre-proline 0 C--N 1.361 1.105 0 O-C-N 119.186 -2.197 . . . . 0.0 111.105 -171.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.2 144.28 46.09 Favored 'Trans proline' 0 C--N 1.358 1.053 0 C-N-CA 124.375 3.384 . . . . 0.0 111.931 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.359 1.016 0 C-N-CA 127.562 2.345 . . . . 0.0 115.338 -179.769 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.491 -1.448 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -118.15 156.93 27.86 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 124.989 2.328 . . . . 0.0 107.59 174.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -125.26 120.92 32.57 Favored 'General case' 0 N--CA 1.428 -1.56 0 C-N-CA 130.717 3.607 . . . . 0.0 103.889 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.541 HG23 HG23 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -125.66 141.02 46.73 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 O-C-N 119.528 -1.982 . . . . 0.0 109.372 176.285 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -129.16 139.75 51.8 Favored 'General case' 0 C--N 1.363 1.184 0 N-CA-C 104.385 -2.45 . . . . 0.0 104.385 165.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.94 159.04 68.63 Favored Pre-proline 0 C--O 1.242 0.686 1 N-CA-C 97.857 -4.868 . . . . 0.0 97.857 171.759 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -67.24 124.84 12.64 Favored 'Trans proline' 0 C--N 1.362 1.268 0 C-N-CA 123.729 2.953 . . . . 0.0 109.179 172.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.495 ' H ' ' HA ' ' A' ' 130' ' ' ILE 0.329 0.1 OUTLIER 51.26 -166.99 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.508 1 C-N-CA 133.322 4.649 . . . . 0.0 116.804 -171.133 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -80.96 90.65 5.96 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 129.37 3.068 . . . . 0.0 107.498 174.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -137.91 -67.7 0.47 Allowed 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 121.028 -1.045 . . . . 0.0 108.499 -172.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.72 ' HE ' ' HB3' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -97.78 -53.73 3.32 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -171.696 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -6.89 109.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.246 1 N-CA-C 124.154 4.872 . . . . 0.0 124.154 170.678 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -105.59 163.94 12.28 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 119.996 -1.69 . . . . 0.0 113.6 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -112.35 -106.69 0.37 Allowed 'General case' 0 C--N 1.364 1.227 0 C-N-CA 127.227 2.211 . . . . 0.0 110.845 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -79.44 86.91 5.09 Favored 'General case' 0 C--N 1.369 1.417 0 O-C-N 119.288 -2.133 . . . . 0.0 109.357 176.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.45 -169.09 1.5 Allowed 'General case' 0 C--N 1.356 0.852 0 CA-C-N 113.868 -1.515 . . . . 0.0 106.954 -162.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -139.92 164.41 30.06 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 123.107 1.432 . . . . 0.0 109.567 173.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.45 HG21 HG21 ' A' ' 72' ' ' VAL . 13.0 p -137.87 141.31 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.222 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 178.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.1 mm -109.4 105.4 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 N-CA-C 102.151 -3.277 . . . . 0.0 102.151 170.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -96.35 102.57 14.37 Favored 'General case' 0 N--CA 1.434 -1.273 0 C-N-CA 129.025 2.93 . . . . 0.0 108.464 175.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 52.47 32.84 12.06 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.942 2.497 . . . . 0.0 117.262 177.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.04 -1.04 69.9 Favored Glycine 0 C--N 1.362 2.01 0 C-N-CA 126.812 2.149 . . . . 0.0 116.652 -170.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -92.25 125.1 36.77 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 120.062 1.931 . . . . 0.0 111.662 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 21.0 pt -80.51 106.72 12.03 Favored 'Isoleucine or valine' 0 C--N 1.367 1.331 0 C-N-CA 128.676 2.79 . . . . 0.0 112.175 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 43.3 t -128.08 102.42 8.55 Favored 'Isoleucine or valine' 0 C--N 1.36 1.035 0 C-N-CA 125.371 1.469 . . . . 0.0 108.666 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 45.1 m -94.52 128.43 41.11 Favored 'General case' 0 C--N 1.379 1.855 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 173.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -141.56 158.98 43.15 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -176.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 6.1 pt -124.62 122.69 64.35 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 CA-C-N 114.366 -1.288 . . . . 0.0 107.722 173.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -170.93 -166.86 30.44 Favored Glycine 0 C--N 1.362 1.973 0 N-CA-C 110.174 -1.171 . . . . 0.0 110.174 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -154.79 146.23 16.78 Favored Pre-proline 0 C--N 1.363 1.166 0 C-N-CA 125.579 1.551 . . . . 0.0 108.673 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -90.03 158.41 4.87 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 124.148 3.232 . . . . 0.0 113.826 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.4 p -132.23 136.89 55.69 Favored 'Isoleucine or valine' 0 C--N 1.363 1.17 0 C-N-CA 125.91 1.684 . . . . 0.0 109.232 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 . . . . . 0 C--N 1.364 1.216 0 C-N-CA 125.706 1.602 . . . . 0.0 112.156 177.114 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 121.611 0.719 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.495 ' HA ' ' H ' ' A' ' 98' ' ' TYR . 20.4 tt -150.39 119.06 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-O 123.048 1.404 . . . . 0.0 112.208 -178.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.286 67.9 p -99.37 141.88 31.58 Favored 'General case' 0 C--N 1.368 1.412 0 CA-C-O 123.753 1.739 . . . . 0.0 109.053 161.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -120.63 137.59 54.36 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 111.177 -2.738 . . . . 0.0 105.017 171.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.541 HG23 HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.6 0 CA-C-O 122.995 1.379 . . . . 0.0 108.225 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 . . . . . 0 N--CA 1.471 0.617 0 CA-C-O 120.925 0.393 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 m -97.18 119.77 45.66 Favored 'Isoleucine or valine' 0 C--N 1.366 1.302 0 CA-C-O 124.611 2.148 . . . . 0.0 112.367 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.28 163.47 20.62 Favored 'Isoleucine or valine' 0 C--N 1.36 1.043 0 C-N-CA 126.984 2.114 . . . . 0.0 112.465 -173.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.5 m -119.17 112.89 20.07 Favored 'General case' 0 C--N 1.379 1.851 0 C-N-CA 123.866 0.866 . . . . 0.0 110.527 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.473 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 86.8 m-85 -102.16 128.25 48.74 Favored 'General case' 0 C--N 1.36 1.05 0 O-C-N 121.501 -0.749 . . . . 0.0 111.192 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -121.69 164.88 16.63 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 127.329 2.252 . . . . 0.0 111.48 -176.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.8 t -147.68 164.31 33.94 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.009 1.723 . . . . 0.0 108.914 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.364 1.198 0 C-N-CA 125.908 1.683 . . . . 0.0 110.231 -176.828 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 74.6 m95 . . . . . 0 CA--C 1.542 0.67 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 m -137.28 169.76 18.94 Favored 'Isoleucine or valine' 0 C--N 1.363 1.158 0 C-N-CA 125.343 1.457 . . . . 0.0 108.68 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -95.55 144.29 26.14 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 124.326 1.05 . . . . 0.0 109.6 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -91.18 -53.66 4.27 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 125.171 1.388 . . . . 0.0 110.424 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.473 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 3.2 p90 -167.94 172.88 8.59 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 105.998 -1.853 . . . . 0.0 105.998 -178.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.5 p -132.82 132.33 42.05 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 100.295 -3.965 . . . . 0.0 100.295 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.28 164.83 36.06 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 -174.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.94 114.42 21.21 Favored 'General case' 0 C--N 1.371 1.518 0 N-CA-C 106.344 -1.724 . . . . 0.0 106.344 167.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -166.57 142.09 4.49 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 121.29 -0.881 . . . . 0.0 110.346 -164.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -116.31 120.31 38.5 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.249 -1.532 . . . . 0.0 110.92 175.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.664 HG12 ' CD2' ' A' ' 92' ' ' TYR . 59.2 t -115.76 104.38 16.66 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 N-CA-C 102.686 -3.079 . . . . 0.0 102.686 173.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -119.5 152.19 52.64 Favored Pre-proline 0 C--N 1.366 1.31 0 CA-C-N 122.371 2.351 . . . . 0.0 112.695 -176.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.6 147.69 51.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.467 3.444 . . . . 0.0 115.302 -177.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.367 1.348 0 C-N-CA 127.558 2.343 . . . . 0.0 112.635 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.944 0 N-CA-C 104.974 -3.251 . . . . 0.0 104.974 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.664 ' CD2' HG12 ' A' ' 72' ' ' VAL . 17.2 m-85 -119.03 137.44 53.54 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -177.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -115.86 122.95 46.9 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.364 1.466 . . . . 0.0 107.675 174.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.522 HG13 ' H ' ' A' ' 133' ' ' ILE . 0.6 OUTLIER -115.08 143.57 24.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 O-C-N 119.992 -1.692 . . . . 0.0 111.221 -174.136 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.41 115.41 20.24 Favored 'General case' 0 C--N 1.366 1.322 0 N-CA-C 101.461 -3.533 . . . . 0.0 101.461 171.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.7 m -141.45 148.31 50.02 Favored Pre-proline 0 C--N 1.355 0.84 0 O-C-N 118.56 -2.588 . . . . 0.0 107.86 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.83 129.35 17.37 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 124.619 3.546 . . . . 0.0 111.344 171.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.383 1.6 t80 20.69 17.41 0.0 OUTLIER 'General case' 0 C--N 1.365 1.247 2 C-N-CA 136.04 5.736 . . . . 0.0 122.935 -172.843 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -100.69 134.68 43.29 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 126.422 1.889 . . . . 0.0 111.391 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.56 23.39 9.61 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.646 1.978 . . . . 0.0 108.501 177.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.4 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 92.2 mtt180 -97.19 -3.46 40.87 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.986 2.115 . . . . 0.0 114.554 -172.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.46 ' H ' HD12 ' A' ' 102' ' ' ILE . 4.4 mp -58.68 -72.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 130.192 3.397 . . . . 0.0 114.539 -178.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.54 ' HB2' HD11 ' A' ' 133' ' ' ILE . 18.4 m-20 -130.37 166.49 20.32 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 177.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.1 tptm 131.59 55.92 0.0 OUTLIER 'General case' 0 C--N 1.352 0.694 0 C-N-CA 130.946 3.698 . . . . 0.0 105.481 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.275 72.7 tttt 89.95 50.74 0.01 OUTLIER 'General case' 0 C--N 1.365 1.248 0 C-N-CA 128.541 2.736 . . . . 0.0 114.582 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.4 ptp -155.78 175.23 14.19 Favored 'General case' 0 C--N 1.373 1.587 0 O-C-N 120.643 -1.286 . . . . 0.0 113.997 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -104.76 123.28 47.38 Favored 'General case' 0 C--N 1.378 1.82 0 O-C-N 119.831 -1.793 . . . . 0.0 112.433 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' A' ' 115' ' ' VAL . 54.2 t -115.83 124.85 72.65 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 O-C-N 120.327 -1.483 . . . . 0.0 111.946 -172.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 35.1 mm -112.98 107.06 22.02 Favored 'Isoleucine or valine' 0 C--N 1.378 1.81 0 CA-C-O 122.087 0.946 . . . . 0.0 111.428 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -95.66 91.53 6.16 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 129.728 3.211 . . . . 0.0 109.28 171.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 48.06 36.08 5.97 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 128.761 2.824 . . . . 0.0 116.881 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.74 -1.66 71.84 Favored Glycine 0 C--N 1.359 1.831 0 C-N-CA 125.907 1.718 . . . . 0.0 117.001 -170.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.38 127.95 38.05 Favored 'General case' 0 C--N 1.367 1.333 0 CA-C-N 120.278 2.039 . . . . 0.0 110.276 177.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.0 mm -84.04 120.8 35.58 Favored 'Isoleucine or valine' 0 C--N 1.366 1.291 0 C-N-CA 126.578 1.951 . . . . 0.0 113.908 -175.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' A' ' 108' ' ' VAL . 59.9 t -115.77 128.32 73.06 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 N-CA-C 104.651 -2.351 . . . . 0.0 104.651 174.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.4 m -110.2 109.67 20.24 Favored 'General case' 0 C--N 1.371 1.537 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -168.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . 0.362 2.6 m-85 64.41 -67.56 0.11 Allowed 'General case' 0 C--N 1.363 1.172 1 N-CA-C 122.933 4.42 . . . . 0.0 122.933 162.739 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 23.7 pt -77.96 137.55 21.97 Favored 'Isoleucine or valine' 0 C--N 1.362 1.126 0 N-CA-C 119.388 3.107 . . . . 0.0 119.388 -170.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.97 151.59 7.13 Favored Glycine 0 C--N 1.36 1.909 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 170.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -114.56 139.5 24.07 Favored Pre-proline 0 C--N 1.366 1.283 0 CA-C-N 119.929 1.865 . . . . 0.0 111.983 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -88.17 144.24 5.92 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 125.101 3.867 . . . . 0.0 116.297 -176.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.0 t -132.49 135.84 57.07 Favored 'Isoleucine or valine' 0 C--N 1.37 1.481 0 C-N-CA 128.45 2.7 . . . . 0.0 109.458 174.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 . . . . . 0 C--N 1.367 1.34 0 N-CA-C 104.549 -2.389 . . . . 0.0 104.549 171.084 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 . . . . . 0 CA--C 1.528 0.129 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.7 tp -97.99 131.01 45.89 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 C-N-CA 125.793 1.637 . . . . 0.0 113.552 -176.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.1 m -123.13 141.39 52.02 Favored 'General case' 0 C--N 1.365 1.247 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -124.91 138.48 54.24 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 126.358 1.863 . . . . 0.0 111.231 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.54 HD11 ' HB2' ' A' ' 103' ' ' ASP 0.277 0.7 OUTLIER . . . . . 0 C--N 1.355 0.839 0 O-C-N 119.423 -2.048 . . . . 0.0 105.903 174.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 N--CA 1.463 0.202 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -96.55 133.18 38.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-O 124.242 1.972 . . . . 0.0 112.606 -173.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.8 mt -128.56 142.16 44.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.085 0 C-N-CA 128.359 2.664 . . . . 0.0 105.445 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.6 113.69 26.51 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 124.601 1.161 . . . . 0.0 109.447 -177.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -101.24 123.98 46.22 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -172.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -121.27 157.15 30.96 Favored 'General case' 0 C--N 1.38 1.896 0 C-N-CA 126.891 2.076 . . . . 0.0 112.195 -177.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.1 p -134.3 154.75 51.13 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 126.464 1.906 . . . . 0.0 112.74 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.363 1.188 0 N-CA-C 103.119 -2.919 . . . . 0.0 103.119 178.1 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 99.3 m95 . . . . . 0 N--CA 1.451 -0.419 0 CA-C-O 122.695 1.236 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.3 p -143.41 159.18 17.13 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -84.0 139.84 32.28 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.642 1.577 . . . . 0.0 108.221 173.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -92.28 -51.74 5.01 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 124.304 1.042 . . . . 0.0 108.864 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -172.08 175.35 3.79 Favored 'General case' 0 C--N 1.361 1.08 0 N-CA-C 105.796 -1.928 . . . . 0.0 105.796 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.6 t -136.05 132.81 36.69 Favored 'General case' 0 CA--C 1.512 -0.504 1 N-CA-C 99.772 -4.159 . . . . 0.0 99.772 176.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.46 164.27 37.62 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -176.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.57 113.75 22.73 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 169.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -163.43 169.18 19.27 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.19 -1.368 . . . . 0.0 108.29 -167.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -129.45 117.25 20.23 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 125.403 1.481 . . . . 0.0 111.008 174.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.446 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 93.2 t -109.4 99.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.376 1.734 0 C-N-CA 129.037 2.935 . . . . 0.0 105.816 172.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -118.63 135.87 23.87 Favored Pre-proline 0 C--N 1.368 1.404 0 C-N-CA 128.096 2.558 . . . . 0.0 111.347 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.57 155.47 59.22 Favored 'Trans proline' 0 CA--C 1.555 1.557 0 C-N-CA 125.088 3.859 . . . . 0.0 116.154 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.367 1.5 mt . . . . . 0 C--N 1.376 1.732 0 C-N-CA 128.691 2.797 . . . . 0.0 111.998 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.486 -1.754 0 CA-C-O 121.486 0.492 . . . . 0.0 113.794 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -130.28 148.98 52.16 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -107.14 118.55 37.0 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 100.867 -3.753 . . . . 0.0 100.867 174.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.446 ' CD1' ' HA ' ' A' ' 72' ' ' VAL . 49.5 mm -130.33 137.48 56.21 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.437 0 CA-C-N 114.328 -1.305 . . . . 0.0 109.47 -170.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -127.56 117.86 22.86 Favored 'General case' 0 C--N 1.358 0.948 1 N-CA-C 99.962 -4.088 . . . . 0.0 99.962 164.106 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.9 m -138.31 122.67 11.74 Favored Pre-proline 0 C--N 1.357 0.896 0 N-CA-C 104.641 -2.355 . . . . 0.0 104.641 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -62.76 124.87 14.87 Favored 'Trans proline' 0 C--N 1.386 2.515 0 C-N-CA 124.467 3.445 . . . . 0.0 110.425 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.414 5.3 t80 20.29 26.88 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.276 2 C-N-CA 132.974 4.51 . . . . 0.0 121.858 -168.532 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -103.71 126.26 50.73 Favored 'General case' 0 C--N 1.361 1.102 0 O-C-N 119.776 -1.828 . . . . 0.0 108.378 174.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.57 9.83 40.84 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 126.925 2.09 . . . . 0.0 109.465 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -102.44 0.72 34.25 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 120.187 3.403 . . . . 0.0 120.187 -170.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 pp -63.38 -46.46 95.33 Favored 'Isoleucine or valine' 0 C--N 1.389 2.322 0 CA-C-N 125.717 3.871 . . . . 0.0 113.685 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -133.84 113.33 12.13 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 128.042 2.537 . . . . 0.0 110.211 172.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -169.61 57.62 0.04 OUTLIER 'General case' 0 C--N 1.347 0.484 0 N-CA-C 102.586 -3.116 . . . . 0.0 102.586 175.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt 72.5 65.25 0.12 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 130.463 3.505 . . . . 0.0 110.755 -174.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.7 mmt -133.2 171.56 13.85 Favored 'General case' 0 C--N 1.363 1.17 0 CA-C-O 122.645 1.212 . . . . 0.0 112.93 -170.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -129.0 130.85 47.18 Favored 'General case' 0 C--N 1.367 1.36 0 N-CA-C 104.502 -2.407 . . . . 0.0 104.502 170.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.51 151.01 35.22 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 O-C-N 119.619 -1.925 . . . . 0.0 109.235 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.8 mt -112.16 107.79 23.85 Favored 'Isoleucine or valine' 0 C--N 1.363 1.16 0 N-CA-C 105.613 -1.995 . . . . 0.0 105.613 170.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -97.81 88.25 4.24 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 131.07 3.748 . . . . 0.0 106.527 172.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 58.78 39.9 23.63 Favored 'General case' 0 C--N 1.366 1.318 0 N-CA-C 118.286 2.698 . . . . 0.0 118.286 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.89 -9.49 75.35 Favored Glycine 0 C--N 1.358 1.757 0 C-N-CA 126.294 1.902 . . . . 0.0 114.843 -175.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -89.07 121.41 31.38 Favored 'General case' 0 C--N 1.359 1.019 0 C-N-CA 125.037 1.335 . . . . 0.0 110.212 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 24.9 pt -90.31 120.56 39.37 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 C-N-CA 126.609 1.963 . . . . 0.0 110.645 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.36 137.37 57.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 C-N-CA 127.231 2.213 . . . . 0.0 108.226 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.0 t -130.24 132.27 45.89 Favored 'General case' 0 C--N 1.365 1.277 0 N-CA-C 104.1 -2.555 . . . . 0.0 104.1 173.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.38 154.36 12.14 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -171.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 68.8 mt -81.23 -71.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.732 0 C-N-CA 125.713 1.605 . . . . 0.0 111.497 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.4 168.69 40.17 Favored Glycine 0 C--N 1.368 2.333 0 N-CA-C 119.271 2.469 . . . . 0.0 119.271 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.448 ' H ' HD13 ' A' ' 133' ' ' ILE . 24.0 t70 -162.57 79.03 1.85 Allowed Pre-proline 0 C--N 1.37 1.48 0 C-N-CA 125.086 1.354 . . . . 0.0 113.183 177.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -77.13 137.24 17.0 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 125.217 3.945 . . . . 0.0 116.097 -174.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.0 t -112.27 123.46 68.02 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 C-N-CA 126.425 1.89 . . . . 0.0 108.042 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 131' ' ' THR . 2.9 m-20 . . . . . 0 C--N 1.364 1.209 0 C-N-CA 126.787 2.035 . . . . 0.0 109.284 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 46.1 mm -114.34 126.18 71.8 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 O-C-N 119.252 -2.155 . . . . 0.0 114.808 -170.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 123' ' ' ASP . 96.9 m -116.05 127.07 54.59 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 104.301 -2.481 . . . . 0.0 104.301 167.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -124.13 137.48 54.55 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 125.742 1.617 . . . . 0.0 112.028 -172.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.448 HD13 ' H ' ' A' ' 120' ' ' ASP 0.304 0.3 OUTLIER . . . . . 0 C--N 1.36 1.03 0 O-C-N 119.687 -1.883 . . . . 0.0 107.638 176.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 C--O 1.235 0.309 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.17 115.33 36.53 Favored 'Isoleucine or valine' 0 C--N 1.359 0.983 0 CA-C-O 123.445 1.593 . . . . 0.0 110.057 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.434 HG12 ' HA ' ' A' ' 110' ' ' TYR 0.262 1.0 OUTLIER -118.03 171.36 6.44 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 C-N-CA 127.189 2.195 . . . . 0.0 110.821 -172.899 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.4 m -109.23 117.09 33.21 Favored 'General case' 0 C--N 1.381 1.951 0 CA-C-N 120.948 1.703 . . . . 0.0 112.409 -176.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 3.1 m-85 -104.46 133.57 49.12 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 125.387 1.475 . . . . 0.0 111.161 -176.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -124.19 160.05 28.75 Favored 'General case' 0 C--N 1.384 2.084 0 C-N-CA 129.482 3.113 . . . . 0.0 109.845 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 t -142.42 161.07 38.99 Favored 'General case' 0 C--N 1.368 1.377 0 O-C-N 120.253 -1.529 . . . . 0.0 112.322 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 . . . . . 0 C--N 1.359 0.998 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 174.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 60.0 m95 . . . . . 0 N--CA 1.442 -0.841 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.6 m -141.09 159.17 23.08 Favored 'Isoleucine or valine' 0 C--N 1.365 1.257 0 C-N-CA 125.27 1.428 . . . . 0.0 108.546 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -96.09 129.35 43.41 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 127.859 2.464 . . . . 0.0 107.058 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -91.65 -63.13 1.29 Allowed 'General case' 0 C--N 1.358 0.95 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -171.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -163.28 176.81 9.55 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -171.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.2 t -126.67 132.62 51.15 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 104.481 -2.414 . . . . 0.0 104.481 169.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.26 165.06 36.92 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 -174.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.91 114.74 20.72 Favored 'General case' 0 C--N 1.365 1.279 0 CA-C-O 124.499 2.095 . . . . 0.0 113.667 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -163.54 169.69 18.37 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.197 -1.365 . . . . 0.0 108.272 -175.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -122.63 106.77 11.27 Favored 'General case' 0 N--CA 1.442 -0.836 1 N-CA-C 100.009 -4.071 . . . . 0.0 100.009 169.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.616 HG11 HG11 ' A' ' 108' ' ' VAL . 0.2 OUTLIER -115.42 96.4 4.57 Favored 'Isoleucine or valine' 0 C--N 1.365 1.247 0 N-CA-C 101.101 -3.666 . . . . 0.0 101.101 -172.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -121.65 151.11 56.63 Favored Pre-proline 0 C--N 1.375 1.709 0 CA-C-N 121.962 2.164 . . . . 0.0 115.158 -170.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -71.52 152.82 60.3 Favored 'Trans proline' 0 C--N 1.367 1.528 0 C-N-CA 124.453 3.435 . . . . 0.0 114.272 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.0 tt . . . . . 0 C--N 1.368 1.374 0 CA-C-O 124.831 2.253 . . . . 0.0 114.354 -178.351 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.487 -1.662 0 CA-C-O 122.464 1.036 . . . . 0.0 113.072 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.44 ' HE2' HG12 ' A' ' 72' ' ' VAL . 1.1 m-30 -116.36 162.02 18.17 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 126.689 1.995 . . . . 0.0 113.359 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -132.52 119.39 20.49 Favored 'General case' 0 C--N 1.364 1.208 0 N-CA-C 103.141 -2.911 . . . . 0.0 103.141 163.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.511 ' HB ' ' HA ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -142.47 134.56 26.11 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 O-C-N 119.726 -1.859 . . . . 0.0 110.287 -167.795 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -131.66 150.34 52.18 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 124.952 1.301 . . . . 0.0 110.175 173.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 t -141.13 153.7 67.1 Favored Pre-proline 0 C--N 1.351 0.658 0 N-CA-C 104.137 -2.542 . . . . 0.0 104.137 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.42 126.08 10.08 Favored 'Trans proline' 0 CA--C 1.55 1.28 0 CA-C-N 125.73 3.082 . . . . 0.0 110.311 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.402 0.3 OUTLIER 19.64 20.42 0.0 OUTLIER 'General case' 0 C--N 1.367 1.357 2 C-N-CA 137.03 6.132 . . . . 0.0 122.939 -175.658 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -104.44 150.6 24.41 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 128.446 2.698 . . . . 0.0 109.802 174.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -110.24 64.33 0.61 Allowed 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.348 -1.47 . . . . 0.0 107.459 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -76.58 -49.91 15.17 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.656 2.382 . . . . 0.0 111.265 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.441 HG21 HD11 ' A' ' 94' ' ' ILE . 1.0 OUTLIER -78.04 131.39 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.2 0 C-N-CA 130.849 3.66 . . . . 0.0 112.983 174.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -135.44 -171.86 2.94 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -166.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -97.61 128.58 44.43 Favored 'General case' 0 C--N 1.365 1.251 0 C-N-CA 130.222 3.409 . . . . 0.0 105.248 170.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 79.32 53.87 0.02 OUTLIER 'General case' 0 C--N 1.362 1.151 0 C-N-CA 128.986 2.914 . . . . 0.0 109.085 -173.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.1 tpt -124.77 149.63 47.14 Favored 'General case' 0 C--N 1.364 1.233 0 CA-C-O 124.301 2.001 . . . . 0.0 113.09 -171.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -136.27 126.18 25.87 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 102.557 -3.127 . . . . 0.0 102.557 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.616 HG11 HG11 ' A' ' 72' ' ' VAL . 97.1 t -129.27 140.34 49.43 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 O-C-N 119.389 -2.07 . . . . 0.0 105.671 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 51.3 mt -99.17 104.28 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 N-CA-C 103.661 -2.718 . . . . 0.0 103.661 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.434 ' HA ' HG12 ' A' ' 43' ' ' ILE . 9.9 t80 -96.68 93.54 6.78 Favored 'General case' 0 N--CA 1.433 -1.299 0 C-N-CA 129.135 2.974 . . . . 0.0 110.365 175.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . 0.257 21.9 ttm180 52.35 42.92 31.23 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 128.73 2.812 . . . . 0.0 116.89 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.74 -6.41 77.07 Favored Glycine 0 C--N 1.36 1.884 0 C-N-CA 126.353 1.93 . . . . 0.0 116.5 -175.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -94.28 126.5 39.57 Favored 'General case' 0 C--N 1.36 1.053 0 CA-C-N 119.895 1.847 . . . . 0.0 110.013 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.8 mm -94.72 106.8 18.59 Favored 'Isoleucine or valine' 0 C--N 1.371 1.522 0 C-N-CA 124.142 0.977 . . . . 0.0 109.313 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.23 148.22 27.22 Favored 'Isoleucine or valine' 0 C--N 1.367 1.335 0 C-N-CA 125.547 1.539 . . . . 0.0 112.27 -176.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.3 p -111.93 142.25 44.57 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 128.853 2.861 . . . . 0.0 115.724 -176.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -156.16 157.19 35.52 Favored 'General case' 0 C--N 1.368 1.378 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 176.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.3 pt -140.64 102.64 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.37 1.481 0 C-N-CA 125.714 1.606 . . . . 0.0 106.792 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -147.31 161.45 28.49 Favored Glycine 0 C--N 1.359 1.842 0 O-C-N 119.178 -2.201 . . . . 0.0 114.826 -172.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -107.32 138.83 20.02 Favored Pre-proline 0 C--N 1.357 0.917 0 C-N-CA 126.471 1.908 . . . . 0.0 110.309 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -85.7 154.65 10.27 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 123.958 3.105 . . . . 0.0 115.693 -172.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 18.2 t -130.42 139.52 51.14 Favored 'Isoleucine or valine' 0 C--N 1.367 1.33 0 C-N-CA 128.291 2.636 . . . . 0.0 109.112 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--N 1.368 1.411 0 C-N-CA 125.943 1.697 . . . . 0.0 109.849 174.646 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 121.694 0.759 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.8 mt -111.57 138.45 40.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 O-C-N 120.506 -1.371 . . . . 0.0 111.347 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.96 126.86 54.37 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 128.495 2.718 . . . . 0.0 105.747 167.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 74.0 ttt-85 -124.3 138.54 54.38 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 127.07 2.148 . . . . 0.0 108.972 -177.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.476 HG23 HG23 ' A' ' 94' ' ' ILE . 16.9 tt . . . . . 0 N--CA 1.444 -0.757 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 174.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--O 1.221 -0.445 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 m -116.95 127.14 74.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 126.363 1.865 . . . . 0.0 106.238 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.0 pt -139.43 167.91 19.19 Favored 'Isoleucine or valine' 0 C--N 1.369 1.453 0 O-C-N 120.707 -1.246 . . . . 0.0 113.021 -174.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 m -114.55 116.72 29.25 Favored 'General case' 0 C--N 1.377 1.793 0 C-N-CA 125.864 1.666 . . . . 0.0 111.965 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 92.4 m-85 -98.64 135.61 39.91 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 124.51 1.124 . . . . 0.0 111.794 177.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -136.66 171.28 14.72 Favored 'General case' 0 C--N 1.376 1.738 0 C-N-CA 126.351 1.86 . . . . 0.0 112.83 -173.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 t -136.97 141.44 42.6 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 125.889 1.675 . . . . 0.0 107.987 172.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 t80 . . . . . 0 C--N 1.357 0.914 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 171.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 30.7 m95 . . . . . 0 N--CA 1.442 -0.83 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.4 p -141.01 153.55 20.59 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -95.03 133.19 39.08 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 126.194 1.798 . . . . 0.0 107.39 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -86.17 -53.62 4.94 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 125.483 1.513 . . . . 0.0 111.109 -174.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.404 ' CZ ' ' CD1' ' A' ' 45' ' ' PHE . 7.2 p90 -170.7 175.27 4.65 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.2 m -141.36 133.07 27.21 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 100.961 -3.718 . . . . 0.0 100.961 175.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.12 163.71 39.3 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-O 122.221 1.01 . . . . 0.0 112.324 -175.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.59 112.8 19.82 Favored 'General case' 0 C--N 1.37 1.479 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 171.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -169.45 169.86 8.66 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 123.269 1.509 . . . . 0.0 107.286 -168.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -144.2 131.45 20.74 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 120.335 -1.478 . . . . 0.0 109.944 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.591 ' HA ' ' HB ' ' A' ' 94' ' ' ILE . 58.0 t -114.53 99.18 8.04 Favored 'Isoleucine or valine' 0 C--N 1.367 1.335 0 C-N-CA 128.255 2.622 . . . . 0.0 105.141 -177.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -106.03 137.37 19.35 Favored Pre-proline 0 C--N 1.357 0.9 0 C-N-CA 127.239 2.216 . . . . 0.0 110.303 -174.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -71.83 155.49 58.03 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 124.36 3.373 . . . . 0.0 114.468 -176.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.7 pt . . . . . 0 C--N 1.364 1.221 0 O-C-N 120.615 -1.303 . . . . 0.0 113.5 176.873 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.486 -1.757 0 CA-C-O 122.0 0.778 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.59 ' CD2' HG12 ' A' ' 72' ' ' VAL . 10.3 m-85 -134.94 132.84 38.91 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 122.473 1.13 . . . . 0.0 110.714 -178.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -99.8 120.1 39.21 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 128.88 2.872 . . . . 0.0 104.987 174.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.591 ' HB ' ' HA ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -147.97 143.87 19.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 O-C-N 120.755 -1.216 . . . . 0.0 111.542 -171.412 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.375 2.4 p90 -132.54 148.09 52.37 Favored 'General case' 0 C--N 1.367 1.328 0 CA-C-O 121.722 0.772 . . . . 0.0 109.05 162.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.423 HG22 HG21 ' A' ' 102' ' ' ILE . 11.2 t -140.44 163.2 45.06 Favored Pre-proline 0 C--N 1.358 0.942 0 N-CA-C 104.551 -2.388 . . . . 0.0 104.551 174.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -69.39 142.8 50.59 Favored 'Trans proline' 0 CA--C 1.561 1.83 0 C-N-CA 123.228 2.619 . . . . 0.0 109.961 158.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.315 0.3 OUTLIER 10.24 19.81 0.0 OUTLIER 'General case' 0 C--N 1.356 0.857 2 C-N-CA 137.232 6.213 . . . . 0.0 125.933 -174.765 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -103.25 131.38 50.34 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 126.547 1.939 . . . . 0.0 109.841 176.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -107.37 28.28 8.26 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 126.674 1.99 . . . . 0.0 113.807 -175.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 87.8 mmt-85 -100.72 -27.7 13.22 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 120.837 -1.164 . . . . 0.0 112.948 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.568 HG22 HD11 ' A' ' 94' ' ' ILE 0.301 0.7 OUTLIER 7.35 -77.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.377 1.769 1 C-N-CA 135.928 5.691 . . . . 0.0 119.396 166.313 . . . . . . . . 5 4 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . 0.259 9.4 p-10 -132.3 113.58 13.39 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 103.86 -2.644 . . . . 0.0 103.86 159.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -142.08 -70.64 0.34 Allowed 'General case' 0 C--N 1.357 0.892 0 O-C-N 120.093 -1.63 . . . . 0.0 112.6 -173.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -173.55 53.87 0.02 OUTLIER 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.539 1.536 . . . . 0.0 107.655 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.458 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 13.3 mtt -157.7 -148.14 0.2 Allowed 'General case' 0 C--N 1.362 1.121 0 C-N-CA 124.103 0.961 . . . . 0.0 110.167 -165.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -137.69 163.67 30.73 Favored 'General case' 0 C--N 1.378 1.817 0 CA-C-O 122.739 1.257 . . . . 0.0 111.673 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.8 p -149.06 151.7 12.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 O-C-N 119.108 -2.245 . . . . 0.0 108.348 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 46.0 mt -112.54 106.24 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.189 0 N-CA-C 103.671 -2.715 . . . . 0.0 103.671 171.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -96.77 99.6 11.18 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.731 2.012 . . . . 0.0 107.632 172.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 54.36 32.62 16.77 Favored 'General case' 0 C--N 1.366 1.308 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.61 -4.19 75.82 Favored Glycine 0 C--N 1.36 1.885 0 C-N-CA 125.503 1.525 . . . . 0.0 114.803 -171.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -93.62 114.69 27.07 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 124.984 1.314 . . . . 0.0 108.5 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 16.7 pt -81.5 116.11 25.21 Favored 'Isoleucine or valine' 0 C--N 1.366 1.294 0 C-N-CA 126.937 2.095 . . . . 0.0 110.434 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 87.7 t -120.77 128.29 76.03 Favored 'Isoleucine or valine' 0 C--N 1.363 1.175 0 C-N-CA 126.865 2.066 . . . . 0.0 110.324 -172.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 p -87.22 116.91 25.63 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 131.073 3.749 . . . . 0.0 110.364 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.458 ' CE1' ' HB2' ' A' ' 106' ' ' MET 0.258 0.5 OUTLIER -125.26 150.09 47.39 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 120.824 3.639 . . . . 0.0 120.824 -172.361 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 16.8 tt -144.67 149.32 17.26 Favored 'Isoleucine or valine' 0 C--N 1.372 1.559 0 C-N-CA 130.451 3.5 . . . . 0.0 105.832 172.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 174.54 -175.67 46.82 Favored Glycine 0 C--N 1.369 2.38 0 CA-C-N 120.282 1.401 . . . . 0.0 113.163 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -143.66 120.32 6.58 Favored Pre-proline 0 C--N 1.366 1.298 0 CA-C-O 115.78 -2.057 . . . . 0.0 106.299 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -94.36 159.18 2.03 Favored 'Trans proline' 0 C--N 1.351 0.699 1 C-N-CA 125.355 4.037 . . . . 0.0 113.798 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 10.7 m -126.06 140.16 49.43 Favored 'Isoleucine or valine' 0 C--N 1.363 1.186 0 C-N-CA 125.258 1.423 . . . . 0.0 107.647 172.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 . . . . . 0 C--N 1.364 1.226 0 O-C-N 120.586 -1.321 . . . . 0.0 112.971 178.675 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 CA--C 1.533 0.296 0 CA-C-O 123.291 1.52 . . . . 0.0 114.814 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 13.0 tt -113.41 127.91 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-O 123.389 1.566 . . . . 0.0 110.881 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 p -107.66 119.24 38.89 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 127.096 2.158 . . . . 0.0 105.568 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -124.32 137.61 54.47 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 126.531 1.932 . . . . 0.0 107.222 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 14.8 tt . . . . . 0 C--N 1.351 0.666 0 CA-C-O 122.599 1.19 . . . . 0.0 112.277 -176.25 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 . . . . . 0 C--O 1.239 0.506 0 CA-C-O 121.513 0.673 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 m -111.01 116.5 52.68 Favored 'Isoleucine or valine' 0 C--N 1.37 1.459 0 C-N-CA 128.526 2.73 . . . . 0.0 107.735 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.92 168.29 17.83 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 C-N-CA 126.008 1.723 . . . . 0.0 112.555 -175.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.9 m -116.64 125.53 51.91 Favored 'General case' 0 C--N 1.38 1.894 0 C-N-CA 124.365 1.066 . . . . 0.0 110.715 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -110.04 125.36 52.85 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 125.074 1.35 . . . . 0.0 110.296 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -133.25 164.9 26.03 Favored 'General case' 0 C--N 1.374 1.65 0 C-N-CA 126.251 1.82 . . . . 0.0 110.722 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.8 p -141.56 159.81 41.45 Favored 'General case' 0 C--N 1.368 1.403 0 CA-C-O 122.931 1.348 . . . . 0.0 113.652 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.9 t80 . . . . . 0 C--N 1.36 1.042 0 N-CA-C 100.498 -3.889 . . . . 0.0 100.498 176.447 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.7 m95 . . . . . 0 CA--C 1.541 0.624 0 CA-C-O 121.925 0.869 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.0 m -142.64 170.23 11.7 Favored 'Isoleucine or valine' 0 C--N 1.366 1.311 0 C-N-CA 127.026 2.131 . . . . 0.0 106.98 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -87.37 146.99 25.66 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.847 2.059 . . . . 0.0 109.555 173.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -96.09 -57.91 2.22 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 125.531 1.533 . . . . 0.0 109.833 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 7.3 p90 -167.16 171.96 10.41 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 104.378 -2.453 . . . . 0.0 104.378 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 p -130.02 132.58 46.29 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 101.122 -3.659 . . . . 0.0 101.122 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.73 164.67 36.86 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 118.231 2.678 . . . . 0.0 118.231 -173.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.74 119.67 34.64 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 127.263 2.225 . . . . 0.0 107.866 171.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.23 168.09 13.68 Favored 'General case' 0 CA--C 1.495 -1.144 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -103.04 106.92 17.54 Favored 'General case' 0 C--N 1.362 1.135 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 171.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.604 HG12 ' CE2' ' A' ' 110' ' ' TYR . 1.9 t -121.82 105.89 17.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 1 N-CA-C 98.426 -4.657 . . . . 0.0 98.426 -176.764 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -137.16 142.99 40.04 Favored Pre-proline 0 C--N 1.365 1.245 0 O-C-N 120.195 -1.566 . . . . 0.0 111.746 -169.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.75 139.1 42.98 Favored 'Trans proline' 0 C--N 1.371 1.723 0 C-N-CA 124.749 3.633 . . . . 0.0 113.655 175.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.557 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.694 0 C-N-CA 131.05 3.74 . . . . 0.0 117.489 -178.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.059 0 CA-C-O 122.519 1.066 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -128.91 143.1 50.79 Favored 'General case' 0 CA--C 1.494 -1.198 0 C-N-CA 127.046 2.138 . . . . 0.0 109.704 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.531 HD21 ' HE ' ' A' ' 132' ' ' ARG . 0.4 OUTLIER -143.13 121.15 12.08 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 102.665 -3.087 . . . . 0.0 102.665 173.481 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -133.9 152.24 34.19 Favored 'Isoleucine or valine' 0 C--N 1.36 1.025 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -168.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.296 0.1 OUTLIER -129.77 128.98 43.49 Favored 'General case' 0 C--N 1.373 1.601 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 166.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.9 t -139.04 158.96 68.69 Favored Pre-proline 0 C--N 1.353 0.732 0 C-N-CA 127.476 2.31 . . . . 0.0 107.706 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -65.92 142.81 70.45 Favored 'Trans proline' 0 CA--C 1.554 1.494 0 C-N-CA 124.012 3.141 . . . . 0.0 111.175 162.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.263 0.6 OUTLIER 2.43 22.11 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.107 2 C-N-CA 136.306 5.842 . . . . 0.0 125.668 -174.761 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -103.27 134.85 45.98 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 126.888 2.075 . . . . 0.0 110.979 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.406 ' HA ' HD11 ' A' ' 133' ' ' ILE . 1.0 OUTLIER -107.14 19.94 19.7 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 127.446 2.299 . . . . 0.0 108.913 175.406 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.45 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 58.5 mtp180 -102.23 1.1 35.49 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 118.796 2.888 . . . . 0.0 118.796 -164.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . 0.33 0.2 OUTLIER -78.04 -64.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.717 0 CA-C-N 123.125 2.693 . . . . 0.0 113.529 177.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -120.26 112.63 19.29 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.512 1.525 . . . . 0.0 110.687 -176.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 78.9 tttt 168.63 60.83 0.0 OUTLIER 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.277 22.3 tptm 76.06 48.45 0.08 Allowed 'General case' 0 C--N 1.371 1.513 0 CA-C-O 125.064 2.364 . . . . 0.0 110.775 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -141.04 -177.9 5.32 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 111.779 -2.464 . . . . 0.0 107.871 -175.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -145.0 131.07 19.33 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.685 1.594 . . . . 0.0 108.768 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.322 1.0 OUTLIER -130.59 161.68 40.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 O-C-N 119.12 -2.237 . . . . 0.0 109.638 177.463 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.497 HG22 ' H ' ' A' ' 112' ' ' GLY . 5.9 mt -118.13 108.1 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 CA-C-N 111.506 -2.588 . . . . 0.0 107.585 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.604 ' CE2' HG12 ' A' ' 72' ' ' VAL . 12.6 m-85 -94.23 82.82 4.15 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 126.652 1.981 . . . . 0.0 107.573 173.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 56.04 46.74 21.16 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 127.398 2.279 . . . . 0.0 116.795 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.497 ' H ' HG22 ' A' ' 109' ' ' ILE . . . 92.96 4.01 65.34 Favored Glycine 0 C--N 1.361 1.928 0 C-N-CA 126.421 1.963 . . . . 0.0 116.641 -174.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -99.52 104.6 16.43 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.642 1.577 . . . . 0.0 109.686 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.628 ' H ' HD13 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -93.3 110.15 22.81 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 C-N-CA 126.904 2.081 . . . . 0.0 112.755 -176.167 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 36.1 t -130.7 138.47 53.59 Favored 'Isoleucine or valine' 0 C--N 1.37 1.484 0 C-N-CA 124.779 1.232 . . . . 0.0 109.597 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.4 m -105.25 131.52 52.62 Favored 'General case' 0 C--N 1.379 1.884 0 C-N-CA 129.638 3.175 . . . . 0.0 107.595 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.33 163.89 32.94 Favored 'General case' 0 C--N 1.365 1.25 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -171.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.75 143.67 38.47 Favored 'Isoleucine or valine' 0 C--N 1.362 1.14 0 C-N-CA 127.918 2.487 . . . . 0.0 106.032 173.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -168.82 -169.57 32.38 Favored Glycine 0 C--N 1.365 2.164 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -169.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -130.98 129.75 22.65 Favored Pre-proline 0 C--N 1.368 1.372 0 C-N-CA 125.379 1.472 . . . . 0.0 113.779 -174.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -99.87 148.18 0.46 Allowed 'Trans proline' 0 C--N 1.365 1.4 0 C-N-CA 124.597 3.531 . . . . 0.0 114.445 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 13.4 p -132.99 133.23 58.9 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 C-N-CA 125.939 1.696 . . . . 0.0 110.197 169.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 . . . . . 0 C--N 1.362 1.123 0 C-N-CA 126.961 2.104 . . . . 0.0 110.047 173.673 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 . . . . . 0 N--CA 1.467 0.414 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 7.9 pt -121.93 137.2 56.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 CA-C-O 123.616 1.674 . . . . 0.0 109.587 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.7 p -113.13 142.27 45.95 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 130.136 3.374 . . . . 0.0 107.94 176.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.531 ' HE ' HD21 ' A' ' 93' ' ' ASN . 77.6 ttt180 -115.71 136.09 53.4 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 175.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' A' ' 100' ' ' ASP . 5.3 mm . . . . . 0 C--N 1.353 0.757 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 177.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 . . . . . 0 C--O 1.239 0.549 0 CA-C-O 122.444 1.116 . . . . 0.0 109.818 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 m -97.72 116.49 40.39 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 C-N-CA 126.083 1.753 . . . . 0.0 106.899 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.4 mm -98.5 157.97 3.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 C-N-CA 128.253 2.621 . . . . 0.0 111.068 -168.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.8 m -121.07 118.96 31.1 Favored 'General case' 0 C--N 1.368 1.372 0 O-C-N 120.56 -1.337 . . . . 0.0 108.564 -177.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.419 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 97.3 m-85 -112.21 127.51 55.97 Favored 'General case' 0 C--N 1.363 1.195 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -126.87 148.9 49.97 Favored 'General case' 0 C--N 1.38 1.909 0 C-N-CA 127.756 2.422 . . . . 0.0 109.795 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.1 t -127.71 161.06 29.81 Favored 'General case' 0 C--N 1.371 1.542 0 O-C-N 119.484 -2.01 . . . . 0.0 111.258 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.1 t80 . . . . . 0 C--N 1.363 1.161 0 C-N-CA 125.834 1.653 . . . . 0.0 107.786 176.374 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 50.8 m95 . . . . . 0 N--CA 1.443 -0.786 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 68.5 t -133.98 137.83 51.48 Favored 'Isoleucine or valine' 0 C--N 1.361 1.084 0 C-N-CA 127.76 2.424 . . . . 0.0 106.803 -175.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.98 130.19 36.92 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 126.186 1.794 . . . . 0.0 108.208 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -83.52 -59.65 2.38 Favored 'General case' 0 C--N 1.362 1.109 0 CA-C-O 122.536 1.16 . . . . 0.0 113.81 -172.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.419 ' CZ ' ' CD1' ' A' ' 45' ' ' PHE . 8.5 p90 -170.08 179.54 3.51 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 -174.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.8 t -139.24 132.77 30.35 Favored 'General case' 0 N--CA 1.445 -0.69 1 N-CA-C 99.892 -4.114 . . . . 0.0 99.892 169.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.56 162.65 39.74 Favored 'General case' 0 CA--C 1.504 -0.819 0 O-C-N 121.533 -0.73 . . . . 0.0 111.753 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.92 116.11 21.41 Favored 'General case' 0 C--N 1.364 1.231 0 O-C-N 120.636 -1.29 . . . . 0.0 107.528 177.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.38 156.31 21.14 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -167.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -108.82 107.24 17.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 174.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.655 HG21 HG21 ' A' ' 108' ' ' VAL . 10.9 t -106.98 99.23 8.15 Favored 'Isoleucine or valine' 0 C--N 1.373 1.604 0 N-CA-C 100.937 -3.727 . . . . 0.0 100.937 176.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -116.29 157.94 44.16 Favored Pre-proline 0 C--N 1.367 1.34 0 O-C-N 118.385 -2.697 . . . . 0.0 110.558 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.31 155.18 60.84 Favored 'Trans proline' 0 CA--C 1.549 1.231 0 CA-C-N 126.915 3.505 . . . . 0.0 113.639 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.358 13.1 tt . . . . . 0 C--N 1.376 1.74 0 C-N-CA 127.206 2.202 . . . . 0.0 116.717 -178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.575 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -114.53 155.29 26.72 Favored 'General case' 0 C--N 1.362 1.127 0 CA-C-O 124.168 1.937 . . . . 0.0 111.485 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . 0.281 2.6 t30 -123.7 119.13 28.89 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 102.51 -3.144 . . . . 0.0 102.51 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.495 HG12 HG22 ' A' ' 72' ' ' VAL . 3.6 mp -140.51 146.78 23.86 Favored 'Isoleucine or valine' 0 C--N 1.361 1.098 0 O-C-N 119.725 -1.859 . . . . 0.0 111.069 -172.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.01 140.3 48.89 Favored 'General case' 0 C--N 1.365 1.266 0 C-N-CA 125.07 1.348 . . . . 0.0 107.529 163.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.0 t -139.45 148.18 55.42 Favored Pre-proline 0 C--N 1.362 1.14 0 N-CA-C 103.286 -2.857 . . . . 0.0 103.286 170.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -64.16 126.57 17.38 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 125.084 3.856 . . . . 0.0 110.433 172.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.298 0.6 OUTLIER 34.76 13.88 0.0 OUTLIER 'General case' 0 C--N 1.356 0.857 2 C-N-CA 134.332 5.053 . . . . 0.0 122.794 -176.248 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -104.24 122.94 46.42 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 119.947 -1.721 . . . . 0.0 111.966 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.442 ' HA ' HG21 ' A' ' 131' ' ' THR . 3.1 m-20 -96.7 25.77 4.97 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 126.445 1.898 . . . . 0.0 112.212 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -94.07 -49.64 5.68 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 116.384 -1.77 . . . . 0.0 112.39 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.459 HD12 HG22 ' A' ' 133' ' ' ILE 0.317 1.3 pt 15.25 -87.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.381 1.957 1 C-N-CA 132.203 4.201 . . . . 0.0 120.124 170.299 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -135.76 113.23 10.74 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 122.538 1.161 . . . . 0.0 108.366 168.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -142.09 -73.52 0.31 Allowed 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 104.162 -2.533 . . . . 0.0 104.162 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -128.75 66.19 1.42 Allowed 'General case' 0 C--N 1.358 0.967 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 171.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.455 ' O ' ' HA ' ' A' ' 117' ' ' PHE 0.315 17.8 ptp -155.25 156.85 36.32 Favored 'General case' 0 C--N 1.364 1.198 0 N-CA-C 120.565 3.543 . . . . 0.0 120.565 -177.664 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -93.96 101.55 13.61 Favored 'General case' 0 C--N 1.358 0.975 1 C-N-CA 131.903 4.081 . . . . 0.0 105.632 -179.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.655 HG21 HG21 ' A' ' 72' ' ' VAL . 1.5 p -107.0 137.58 37.16 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.258 0 CA-C-O 122.534 1.159 . . . . 0.0 108.722 -175.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 48.5 mt -103.89 105.37 18.29 Favored 'Isoleucine or valine' 0 C--N 1.363 1.182 0 N-CA-C 103.767 -2.679 . . . . 0.0 103.767 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -99.16 111.76 24.07 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 126.2 1.8 . . . . 0.0 107.116 173.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 52.39 32.96 12.02 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 117.674 2.472 . . . . 0.0 117.674 175.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.83 3.96 65.64 Favored Glycine 0 C--N 1.359 1.816 0 C-N-CA 127.244 2.354 . . . . 0.0 116.236 -174.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -109.1 122.81 48.07 Favored 'General case' 0 C--N 1.361 1.087 0 CA-C-N 119.806 1.803 . . . . 0.0 110.651 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.2 mp -86.06 105.65 14.77 Favored 'Isoleucine or valine' 0 C--N 1.372 1.549 0 C-N-CA 125.404 1.482 . . . . 0.0 108.822 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.7 162.98 36.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 -168.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . 0.689 14.7 t 71.49 -89.75 0.03 OUTLIER 'General case' 0 C--N 1.378 1.818 2 N-CA-C 128.016 6.302 . . . . 0.0 128.016 168.018 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.455 ' HA ' ' O ' ' A' ' 106' ' ' MET 0.671 3.1 m-85 103.56 -74.34 0.0 OUTLIER 'General case' 0 C--N 1.374 1.65 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 -170.558 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 32.6 pt -104.6 144.17 14.99 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 N-CA-C 117.75 2.5 . . . . 0.0 117.75 -172.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.569 ' HA3' HD11 ' A' ' 133' ' ' ILE . . . -170.94 -179.26 42.04 Favored Glycine 0 C--N 1.361 1.925 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 173.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -127.97 101.44 22.93 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 126.092 1.757 . . . . 0.0 109.855 176.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -78.88 137.49 14.03 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 124.871 3.714 . . . . 0.0 114.842 -178.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.1 t -125.36 121.49 60.59 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 C-N-CA 127.224 2.21 . . . . 0.0 108.965 -177.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 C--N 1.361 1.105 0 O-C-N 120.56 -1.337 . . . . 0.0 110.443 176.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . 0.263 6.9 mp0 . . . . . 0 C--O 1.224 -0.241 0 CA-C-O 121.958 0.885 . . . . 0.0 112.416 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.7 pp -107.75 142.67 19.86 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 CA-C-O 123.343 1.544 . . . . 0.0 113.562 -176.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.442 HG21 ' HA ' ' A' ' 100' ' ' ASP . 71.4 m -112.24 132.31 55.0 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 128.165 2.586 . . . . 0.0 107.954 173.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -124.46 138.85 54.31 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 126.88 2.072 . . . . 0.0 111.889 -173.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.569 HD11 ' HA3' ' A' ' 119' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.358 0.937 0 O-C-N 120.182 -1.574 . . . . 0.0 109.768 174.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 N--CA 1.467 0.382 0 CA-C-O 121.438 0.637 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.3 t -97.62 128.17 49.22 Favored 'Isoleucine or valine' 0 C--N 1.364 1.208 0 C-N-CA 128.008 2.523 . . . . 0.0 107.573 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.9 pt -132.11 168.21 24.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 O-C-N 118.957 -2.34 . . . . 0.0 111.823 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.8 m -113.29 124.3 52.17 Favored 'General case' 0 C--N 1.378 1.823 0 C-N-CA 125.194 1.397 . . . . 0.0 110.775 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.559 ' CE2' HG22 ' A' ' 102' ' ' ILE . 84.9 m-85 -105.97 136.92 44.78 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 123.697 0.799 . . . . 0.0 113.136 176.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -132.62 162.98 29.92 Favored 'General case' 0 C--N 1.373 1.596 0 C-N-CA 127.444 2.297 . . . . 0.0 109.674 -177.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.6 t -141.6 161.21 38.48 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 125.508 1.523 . . . . 0.0 108.79 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.359 0.986 0 C-N-CA 128.535 2.734 . . . . 0.0 105.757 178.35 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.4 m95 . . . . . 0 N--CA 1.444 -0.765 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.5 p -143.59 157.31 16.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 C-N-CA 123.695 0.798 . . . . 0.0 108.955 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -95.61 135.03 37.8 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 127.113 2.165 . . . . 0.0 108.053 175.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -88.07 -56.07 3.49 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 126.172 1.789 . . . . 0.0 111.544 -175.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 101' ' ' ARG . 36.9 p90 -167.69 172.84 8.93 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -175.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 m -131.44 132.5 44.36 Favored 'General case' 0 CA--C 1.505 -0.774 1 N-CA-C 99.566 -4.235 . . . . 0.0 99.566 171.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.26 165.41 35.97 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 121.848 0.832 . . . . 0.0 112.917 -175.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.77 114.24 20.28 Favored 'General case' 0 C--N 1.367 1.332 0 CA-C-O 122.448 1.118 . . . . 0.0 108.744 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.7 170.02 2.45 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 105.488 -2.042 . . . . 0.0 105.488 -172.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.01 128.53 16.02 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 171.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.646 HG22 HG13 ' A' ' 94' ' ' ILE . 91.4 t -105.8 99.22 8.05 Favored 'Isoleucine or valine' 0 C--N 1.37 1.475 0 C-N-CA 127.307 2.243 . . . . 0.0 106.316 177.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -102.96 129.59 25.35 Favored Pre-proline 0 C--N 1.362 1.127 0 O-C-N 120.132 -1.605 . . . . 0.0 112.966 -175.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -72.06 141.68 36.85 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 124.744 3.629 . . . . 0.0 112.595 173.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.6 pt . . . . . 0 C--N 1.365 1.248 0 O-C-N 119.828 -1.795 . . . . 0.0 114.403 179.877 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.262 0 CA-C-O 122.466 1.037 . . . . 0.0 112.171 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.458 ' CD2' HG12 ' A' ' 72' ' ' VAL . 52.9 m-85 -121.29 153.1 38.14 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 126.583 1.953 . . . . 0.0 114.231 -177.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -122.36 120.33 33.69 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 101.483 -3.525 . . . . 0.0 101.483 169.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.646 HG13 HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -147.44 143.15 19.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 O-C-N 119.494 -2.003 . . . . 0.0 112.302 -171.458 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.17 141.52 48.41 Favored 'General case' 0 C--N 1.377 1.796 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 172.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.7 m -139.3 147.66 53.8 Favored Pre-proline 0 C--N 1.352 0.689 0 N-CA-C 102.886 -3.005 . . . . 0.0 102.886 167.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.96 135.52 17.46 Favored 'Trans proline' 0 C--N 1.357 0.985 0 CA-C-N 126.297 3.285 . . . . 0.0 110.715 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 19.04 -10.62 0.0 OUTLIER 'General case' 0 C--N 1.359 0.998 2 C-N-CA 138.543 6.737 . . . . 0.0 123.855 -177.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -104.44 157.75 16.94 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 128.905 2.882 . . . . 0.0 111.821 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -96.43 66.06 2.36 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 120.417 -1.427 . . . . 0.0 108.747 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 59.4 mtt180 -76.47 -49.39 16.7 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 124.469 1.108 . . . . 0.0 112.632 -177.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.559 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -62.01 151.87 7.08 Favored 'Isoleucine or valine' 0 C--N 1.366 1.315 0 C-N-CA 130.791 3.636 . . . . 0.0 115.268 165.816 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -135.99 -178.92 5.36 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -175.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -82.92 -23.5 33.5 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 130.251 3.42 . . . . 0.0 114.822 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -139.65 82.25 1.87 Allowed 'General case' 0 C--N 1.347 0.494 0 N-CA-C 104.875 -2.268 . . . . 0.0 104.875 177.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -144.55 168.65 19.63 Favored 'General case' 0 C--N 1.363 1.154 0 CA-C-O 122.869 1.318 . . . . 0.0 110.766 -172.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -127.89 150.98 49.63 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.13 149.53 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 CA-C-O 123.176 1.465 . . . . 0.0 109.521 -178.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 58.1 mt -108.49 104.06 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 N-CA-C 101.661 -3.459 . . . . 0.0 101.661 165.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -95.17 103.19 15.04 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 130.057 3.343 . . . . 0.0 107.543 173.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . 0.363 17.6 ptm180 44.08 40.43 3.45 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 129.605 3.162 . . . . 0.0 118.168 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.18 6.28 63.19 Favored Glycine 0 C--N 1.36 1.914 0 C-N-CA 127.534 2.492 . . . . 0.0 116.463 -176.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -108.45 125.41 51.74 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 119.655 1.728 . . . . 0.0 109.019 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 18.8 mt -97.37 106.67 18.87 Favored 'Isoleucine or valine' 0 C--N 1.367 1.365 0 C-N-CA 124.507 1.123 . . . . 0.0 109.911 -178.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.5 m -132.53 160.76 42.35 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 C-N-CA 125.573 1.549 . . . . 0.0 111.318 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.8 151.54 19.55 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 129.788 3.235 . . . . 0.0 108.535 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -149.5 160.8 43.16 Favored 'General case' 0 C--N 1.37 1.48 0 CA-C-N 118.666 0.666 . . . . 0.0 112.424 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.451 HD13 ' H ' ' A' ' 118' ' ' ILE . 0.1 OUTLIER -133.16 170.94 18.98 Favored 'Isoleucine or valine' 0 C--N 1.374 1.655 0 C-N-CA 127.675 2.39 . . . . 0.0 108.818 179.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 126.19 157.79 9.69 Favored Glycine 0 C--N 1.367 2.275 0 O-C-N 120.654 -1.279 . . . . 0.0 114.917 171.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -103.35 123.87 40.17 Favored Pre-proline 0 C--N 1.359 1.014 0 C-N-CA 125.937 1.695 . . . . 0.0 111.153 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.9 132.35 10.6 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.73 3.62 . . . . 0.0 113.35 175.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.4 p -132.93 144.14 37.45 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 C-N-CA 124.803 1.241 . . . . 0.0 109.477 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 C--N 1.358 0.957 0 C-N-CA 125.949 1.7 . . . . 0.0 111.51 173.837 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 . . . . . 0 CA--C 1.533 0.305 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.0 tt -128.97 125.31 62.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 O-C-N 120.058 -1.652 . . . . 0.0 110.927 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.26 117.08 31.84 Favored 'General case' 0 C--N 1.37 1.494 0 N-CA-C 103.573 -2.751 . . . . 0.0 103.573 166.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.93 137.08 51.85 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 125.178 1.391 . . . . 0.0 108.94 -176.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.352 0.711 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 p30 . . . . . 0 CA--C 1.512 -0.482 0 CA-C-O 122.796 1.284 . . . . 0.0 111.375 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 m -101.76 138.92 24.31 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 C-N-CA 127.334 2.254 . . . . 0.0 106.11 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.73 170.57 19.58 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 O-C-N 119.995 -1.691 . . . . 0.0 110.683 -176.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.4 m -119.29 123.63 44.7 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 121.254 -0.904 . . . . 0.0 113.373 -174.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.46 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 99.0 m-85 -104.19 133.58 48.88 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 124.042 0.937 . . . . 0.0 112.536 175.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -142.72 145.58 33.49 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 127.215 2.206 . . . . 0.0 109.583 -175.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.8 p -136.02 168.34 19.54 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 119.77 -1.831 . . . . 0.0 113.074 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.1 t80 . . . . . 0 C--N 1.36 1.053 0 C-N-CA 128.318 2.647 . . . . 0.0 108.249 -177.575 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 77.1 m95 . . . . . 0 N--CA 1.435 -1.195 0 N-CA-C 104.891 -2.263 . . . . 0.0 104.891 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.8 p -142.32 159.65 19.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -82.82 141.04 32.6 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 126.431 1.892 . . . . 0.0 109.781 176.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -95.36 -57.79 2.31 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.11 0.964 . . . . 0.0 110.527 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.46 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 14.2 p90 -162.18 171.39 17.47 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -177.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 p -132.61 133.52 43.74 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 101.91 -3.367 . . . . 0.0 101.91 175.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.15 164.34 34.2 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -177.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.69 117.03 29.74 Favored 'General case' 0 C--N 1.366 1.321 0 N-CA-C 104.795 -2.298 . . . . 0.0 104.795 172.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -174.5 154.76 2.13 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 -167.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -108.21 107.16 17.66 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.479 ' HA ' HG22 ' A' ' 94' ' ' ILE 0.267 1.0 OUTLIER -128.67 112.63 26.72 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 N-CA-C 100.585 -3.858 . . . . 0.0 100.585 -178.258 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -140.09 146.94 48.53 Favored Pre-proline 0 C--N 1.361 1.087 0 O-C-N 120.794 -1.191 . . . . 0.0 110.396 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -71.56 155.06 59.84 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 124.352 3.368 . . . . 0.0 113.251 176.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.46 25.3 pt . . . . . 0 C--N 1.36 1.03 0 N-CA-C 119.575 3.176 . . . . 0.0 119.575 177.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.543 0 CA-C-O 123.072 1.373 . . . . 0.0 115.175 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -138.98 155.34 48.08 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -118.76 119.04 33.22 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 103.511 -2.774 . . . . 0.0 103.511 169.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.479 HG22 ' HA ' ' A' ' 72' ' ' VAL . 1.5 pp -139.03 131.26 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 176.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.07 114.68 19.38 Favored 'General case' 0 C--N 1.363 1.173 1 N-CA-C 96.755 -5.276 . . . . 0.0 96.755 165.698 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 53.6 m -138.28 109.28 8.17 Favored Pre-proline 0 C--N 1.349 0.58 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 -175.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -60.54 130.26 32.86 Favored 'Trans proline' 0 C--N 1.369 1.628 1 C-N-CA 125.685 4.257 . . . . 0.0 113.571 -176.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.393 0.4 OUTLIER 21.58 17.04 0.0 OUTLIER 'General case' 0 C--N 1.358 0.974 2 C-N-CA 135.349 5.459 . . . . 0.0 123.944 -173.484 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -104.08 110.31 22.44 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 129.478 3.111 . . . . 0.0 106.814 173.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -97.93 22.48 9.22 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 124.929 1.292 . . . . 0.0 113.455 -176.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.418 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.8 mmt180 -102.78 1.91 34.85 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -175.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.464 HG12 HD13 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -52.89 -58.52 2.68 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 1 C-N-CA 131.913 4.085 . . . . 0.0 114.189 178.648 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -129.59 112.95 14.23 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 126.912 2.085 . . . . 0.0 106.22 173.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -169.74 40.59 0.03 OUTLIER 'General case' 0 C--N 1.349 0.553 0 N-CA-C 103.935 -2.617 . . . . 0.0 103.935 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 50.8 tptt 71.42 75.31 0.18 Allowed 'General case' 0 C--N 1.366 1.31 0 C-N-CA 128.611 2.764 . . . . 0.0 111.768 -175.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.0 mtt -147.45 -177.72 5.85 Favored 'General case' 0 C--N 1.365 1.257 0 CA-C-O 122.597 1.189 . . . . 0.0 109.557 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -124.86 143.93 50.58 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 127.0 2.12 . . . . 0.0 106.203 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.9 p -146.39 146.38 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 O-C-N 120.13 -1.607 . . . . 0.0 108.63 -173.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.6 tt -121.26 107.97 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.529 0 N-CA-C 105.121 -2.177 . . . . 0.0 105.121 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.88 88.67 5.38 Favored 'General case' 0 C--N 1.386 2.152 0 C-N-CA 126.852 2.061 . . . . 0.0 109.212 176.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 62.07 41.31 11.11 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 127.343 2.257 . . . . 0.0 115.77 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.82 9.86 60.66 Favored Glycine 0 C--N 1.364 2.108 0 N-CA-C 117.704 1.842 . . . . 0.0 117.704 -178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -115.91 121.4 42.21 Favored 'General case' 0 C--N 1.36 1.05 0 CA-C-N 120.197 1.999 . . . . 0.0 107.193 177.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 15.2 tt -112.38 117.98 56.63 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 N-CA-C 115.019 1.488 . . . . 0.0 115.019 -172.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.0 t -132.95 162.22 40.36 Favored 'Isoleucine or valine' 0 C--N 1.373 1.616 0 C-N-CA 125.956 1.702 . . . . 0.0 109.058 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.6 t -118.72 137.85 53.05 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.11 1.764 . . . . 0.0 107.725 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -152.37 152.27 31.85 Favored 'General case' 0 C--N 1.362 1.134 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -174.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.0 142.14 42.84 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 C-N-CA 124.979 1.311 . . . . 0.0 108.052 175.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 176.84 -168.86 41.05 Favored Glycine 0 C--N 1.362 2.015 0 N-CA-C 106.866 -2.493 . . . . 0.0 106.866 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -150.91 127.01 5.06 Favored Pre-proline 0 C--N 1.37 1.46 0 CA-C-O 116.707 -1.616 . . . . 0.0 108.245 177.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -87.07 158.35 8.54 Favored 'Trans proline' 0 CA--C 1.553 1.449 1 C-N-CA 125.673 4.249 . . . . 0.0 112.552 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.6 t -100.29 135.77 34.65 Favored 'Isoleucine or valine' 0 C--N 1.361 1.067 0 C-N-CA 127.962 2.505 . . . . 0.0 109.289 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 . . . . . 0 C--N 1.362 1.132 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -177.659 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 . . . . . 0 C--O 1.225 -0.186 0 CA-C-O 121.715 0.769 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.437 HD13 HH21 ' A' ' 132' ' ' ARG . 19.4 tt -126.93 134.98 64.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 123.736 1.731 . . . . 0.0 113.263 -174.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.3 114.69 27.03 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 128.834 2.854 . . . . 0.0 104.903 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.437 HH21 HD13 ' A' ' 130' ' ' ILE . 29.1 ttm180 -125.79 138.26 53.83 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 125.77 1.628 . . . . 0.0 114.685 -172.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.44 ' H ' HG13 ' A' ' 94' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.366 1.297 0 N-CA-C 103.056 -2.942 . . . . 0.0 103.056 165.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.6 ptp . . . . . 0 N--CA 1.446 -0.664 0 CA-C-O 121.44 0.638 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -101.76 -29.04 12.11 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.638 1.975 . . . . 0.0 110.695 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 71.5 -73.85 0.09 Allowed 'General case' 0 C--N 1.365 1.246 0 C-N-CA 127.128 2.171 . . . . 0.0 114.715 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -122.52 125.25 45.36 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.733 2.013 . . . . 0.0 105.781 177.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.546 ' HB3' ' CD2' ' A' ' 71' ' ' HIS . 2.5 t80 -153.54 157.69 40.15 Favored 'General case' 0 C--N 1.359 0.992 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -171.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.406 HH12 ' HG3' ' A' ' 97' ' ' PRO . 81.3 mtt-85 -158.53 94.72 1.28 Allowed 'General case' 0 C--N 1.361 1.066 0 C-N-CA 128.417 2.687 . . . . 0.0 107.683 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.71 171.33 9.24 Favored 'General case' 0 CA--C 1.505 -0.783 0 O-C-N 119.66 -1.9 . . . . 0.0 106.485 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 m -96.88 114.67 34.39 Favored 'Isoleucine or valine' 0 C--N 1.367 1.359 0 CA-C-O 125.461 2.553 . . . . 0.0 104.514 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 70' ' ' ALA . 10.5 pt -132.43 158.5 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 112.323 -2.217 . . . . 0.0 107.836 -171.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 96.9 m -116.68 122.56 44.9 Favored 'General case' 0 C--N 1.365 1.268 0 CA-C-O 122.71 1.243 . . . . 0.0 110.633 -174.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -94.58 123.66 38.15 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 126.965 2.106 . . . . 0.0 109.96 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -135.15 173.05 12.15 Favored 'General case' 0 C--N 1.375 1.713 0 CA-C-O 122.615 1.198 . . . . 0.0 107.879 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.1 m -122.89 137.8 54.84 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 126.265 1.826 . . . . 0.0 111.805 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -123.27 117.18 24.69 Favored 'General case' 0 C--N 1.352 0.706 1 N-CA-C 100.023 -4.066 . . . . 0.0 100.023 167.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 96.5 t -136.49 128.75 44.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.794 0 N-CA-C 104.354 -2.462 . . . . 0.0 104.354 -176.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -81.73 56.48 3.05 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 125.878 1.671 . . . . 0.0 112.493 -177.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . 0.346 18.4 mt-30 99.0 139.88 0.01 OUTLIER 'General case' 0 C--N 1.365 1.266 0 C-N-CA 130.363 3.465 . . . . 0.0 114.306 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.9 t -95.36 45.43 1.1 Allowed 'General case' 0 C--N 1.365 1.268 0 O-C-N 119.742 -1.849 . . . . 0.0 112.555 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -152.33 -177.24 6.07 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 128.195 2.598 . . . . 0.0 106.142 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -81.68 33.44 2.58 Favored Glycine 0 C--N 1.364 2.127 0 N-CA-C 118.644 2.218 . . . . 0.0 118.644 -176.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -128.25 93.24 3.61 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 127.776 2.43 . . . . 0.0 105.839 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -89.15 90.26 1.63 Allowed Glycine 0 C--N 1.363 2.053 0 C-N-CA 125.52 1.534 . . . . 0.0 110.542 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 146.64 -149.43 21.57 Favored Glycine 0 C--N 1.353 1.519 0 N-CA-C 105.958 -2.857 . . . . 0.0 105.958 -175.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 80.9 tttt 67.81 -64.42 0.28 Allowed 'General case' 0 C--N 1.363 1.154 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 175.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 61.5 p -138.77 164.6 29.17 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 106.16 -1.793 . . . . 0.0 106.16 177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -134.19 139.66 45.99 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 119.637 -1.915 . . . . 0.0 109.218 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -125.54 138.13 53.95 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 125.703 1.601 . . . . 0.0 110.724 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -105.04 134.86 47.44 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 129.193 2.997 . . . . 0.0 111.52 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.37 160.74 17.11 Favored 'Isoleucine or valine' 0 C--N 1.368 1.387 0 C-N-CA 125.571 1.549 . . . . 0.0 107.613 175.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -103.63 139.57 38.74 Favored 'General case' 0 C--N 1.37 1.486 0 C-N-CA 126.065 1.746 . . . . 0.0 109.885 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -99.3 -60.71 1.48 Allowed 'General case' 0 C--N 1.367 1.345 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -173.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' A' ' 101' ' ' ARG . 17.6 p90 -164.83 172.81 12.46 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -178.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.2 p -129.98 133.46 46.8 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 104.306 -2.479 . . . . 0.0 104.306 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.94 164.16 35.36 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-O 123.344 1.545 . . . . 0.0 114.771 -176.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -90.22 112.7 24.32 Favored 'General case' 0 C--N 1.37 1.497 0 N-CA-C 102.869 -3.011 . . . . 0.0 102.869 167.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.403 ' HB3' HD11 ' A' ' 43' ' ' ILE . . . -157.23 169.26 25.16 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 114.642 -1.163 . . . . 0.0 111.562 -166.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.546 ' CD2' ' HB3' ' A' ' 39' ' ' PHE . 21.5 t-160 -134.33 111.01 9.86 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 175.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.518 ' HA ' ' HB ' ' A' ' 94' ' ' ILE . 15.4 t -111.02 125.45 68.36 Favored 'Isoleucine or valine' 0 C--N 1.363 1.178 0 N-CA-C 101.259 -3.608 . . . . 0.0 101.259 171.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -133.51 138.74 31.91 Favored Pre-proline 0 C--N 1.364 1.199 0 CA-C-O 116.99 -1.481 . . . . 0.0 109.007 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.87 155.02 58.43 Favored 'Trans proline' 0 C--N 1.371 1.758 0 C-N-CA 124.953 3.769 . . . . 0.0 112.901 171.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.3 tt -62.46 -33.01 57.09 Favored 'Isoleucine or valine' 0 C--N 1.362 1.143 0 N-CA-C 117.812 2.523 . . . . 0.0 117.812 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . 0.338 89.2 p 81.05 -59.75 0.25 Allowed 'General case' 0 C--N 1.361 1.086 0 C-N-CA 130.187 3.395 . . . . 0.0 112.613 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -147.87 -112.69 0.08 Allowed 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 105.142 -2.169 . . . . 0.0 105.142 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -97.66 6.83 47.44 Favored 'General case' 0 C--N 1.359 0.999 0 O-C-N 120.77 -1.206 . . . . 0.0 112.805 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 74.55 -47.52 0.63 Allowed 'General case' 0 C--N 1.365 1.246 0 C-N-CA 128.402 2.681 . . . . 0.0 115.775 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -94.26 -17.84 22.26 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 128.466 2.707 . . . . 0.0 110.913 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . 0.262 14.4 m-85 65.81 -81.96 0.03 OUTLIER 'General case' 0 C--N 1.359 1.022 0 C-N-CA 130.046 3.339 . . . . 0.0 116.261 177.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt 48.34 -57.35 0.0 OUTLIER 'General case' 0 C--N 1.362 1.147 1 C-N-CA 132.192 4.197 . . . . 0.0 120.787 177.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.95 -61.6 1.55 Allowed 'General case' 0 C--N 1.353 0.729 0 C-N-CA 126.136 1.774 . . . . 0.0 111.364 -178.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.487 ' HG3' ' H ' ' A' ' 85' ' ' GLN 0.356 1.2 pt20 146.9 -121.85 0.0 OUTLIER 'General case' 0 C--N 1.363 1.186 0 C-N-CA 130.118 3.367 . . . . 0.0 108.452 178.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.487 ' H ' ' HG3' ' A' ' 84' ' ' GLN 0.37 33.0 mt-30 87.17 156.65 0.07 Allowed 'General case' 0 C--N 1.36 1.024 1 C-N-CA 131.763 4.025 . . . . 0.0 112.552 -177.614 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 24.9 tp -140.3 144.89 36.62 Favored 'General case' 0 C--N 1.364 1.237 0 O-C-N 120.206 -1.559 . . . . 0.0 110.01 -177.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -179.66 167.26 1.39 Allowed 'General case' 0 C--N 1.359 0.993 0 N-CA-C 101.429 -3.545 . . . . 0.0 101.429 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.6 m -85.57 129.37 55.27 Favored Pre-proline 0 C--N 1.358 0.936 0 C-N-CA 128.064 2.545 . . . . 0.0 107.808 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -73.59 124.75 9.54 Favored 'Trans proline' 0 C--N 1.359 1.082 0 C-N-CA 124.21 3.273 . . . . 0.0 114.116 -169.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.7 pt -128.28 23.33 2.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.877 0 C-N-CA 127.422 2.289 . . . . 0.0 109.88 -177.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -131.51 142.39 13.78 Favored Glycine 0 C--N 1.363 2.068 0 CA-C-O 122.84 1.245 . . . . 0.0 112.402 -175.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -127.01 147.97 50.12 Favored 'General case' 0 C--N 1.357 0.897 0 CA-C-O 123.702 1.715 . . . . 0.0 109.958 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -124.09 130.89 53.31 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 111.562 -2.563 . . . . 0.0 107.609 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.518 ' HB ' ' HA ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -143.11 147.24 20.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 O-C-N 119.795 -1.816 . . . . 0.0 111.748 -179.4 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -128.56 132.34 48.24 Favored 'General case' 0 C--N 1.369 1.443 0 N-CA-C 104.885 -2.265 . . . . 0.0 104.885 169.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.7 m -139.01 143.1 35.64 Favored Pre-proline 0 C--N 1.359 1.012 0 N-CA-C 103.006 -2.961 . . . . 0.0 103.006 173.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.406 ' HG3' HH12 ' A' ' 40' ' ' ARG . 72.9 Cg_endo -70.25 124.38 10.82 Favored 'Trans proline' 0 C--N 1.373 1.863 0 CA-C-N 125.854 3.126 . . . . 0.0 108.725 175.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.372 2.5 t80 32.12 19.35 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.975 1 C-N-CA 133.915 4.886 . . . . 0.0 120.765 -170.533 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -98.02 125.99 43.23 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 119.032 -2.292 . . . . 0.0 108.584 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.423 ' HA ' HD11 ' A' ' 133' ' ' ILE . 3.7 m-20 -112.75 13.37 19.79 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 126.359 1.864 . . . . 0.0 112.454 -174.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.436 ' HB3' ' CE1' ' A' ' 66' ' ' PHE . 18.9 tpt180 -102.04 -2.77 28.86 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 117.762 2.504 . . . . 0.0 117.762 -170.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.514 ' H ' HD12 ' A' ' 102' ' ' ILE . 3.2 mp -63.24 -69.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.733 0 C-N-CA 128.368 2.667 . . . . 0.0 114.495 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -106.57 111.35 23.87 Favored 'General case' 0 C--N 1.363 1.184 0 O-C-N 121.358 -0.839 . . . . 0.0 109.908 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.0 tptm 178.02 42.88 0.0 OUTLIER 'General case' 0 C--N 1.35 0.605 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.25 7.0 tmtm? 79.46 80.03 0.05 Allowed 'General case' 0 C--N 1.367 1.341 0 C-N-CA 127.996 2.518 . . . . 0.0 110.714 -175.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.8 mmt -147.77 173.24 12.99 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.615 -1.303 . . . . 0.0 108.542 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -138.88 98.37 3.53 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 104.826 -2.287 . . . . 0.0 104.826 176.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.4 m -108.13 158.84 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.72 0 O-C-N 116.825 -3.672 . . . . 0.0 112.024 -169.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.1 tt -117.18 107.19 21.68 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 CA-C-O 123.681 1.705 . . . . 0.0 108.989 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.445 ' N ' ' CD1' ' A' ' 110' ' ' TYR . 3.6 p90 -112.79 128.27 56.39 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.096 1.758 . . . . 0.0 108.043 175.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 46.1 32.19 1.35 Allowed 'General case' 0 C--N 1.367 1.338 0 C-N-CA 128.823 2.849 . . . . 0.0 118.063 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 91.6 0.2 73.03 Favored Glycine 0 C--N 1.359 1.842 0 C-N-CA 126.377 1.941 . . . . 0.0 116.471 -176.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -106.09 124.91 50.32 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-N 119.9 1.85 . . . . 0.0 111.548 -176.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.56 117.33 42.09 Favored 'Isoleucine or valine' 0 C--N 1.369 1.43 0 C-N-CA 125.028 1.331 . . . . 0.0 109.337 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.7 p -131.2 153.69 39.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.762 0 O-C-N 120.587 -1.321 . . . . 0.0 111.315 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.8 t -117.01 136.1 53.2 Favored 'General case' 0 C--N 1.366 1.316 0 C-N-CA 128.138 2.575 . . . . 0.0 107.848 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -168.89 153.05 5.55 Favored 'General case' 0 C--N 1.361 1.097 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -174.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.96 143.3 35.01 Favored 'Isoleucine or valine' 0 C--N 1.367 1.332 0 C-N-CA 125.601 1.56 . . . . 0.0 107.091 176.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.85 -162.93 13.73 Favored Glycine 0 C--N 1.365 2.192 0 O-C-N 119.835 -1.791 . . . . 0.0 114.033 -174.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -146.26 126.6 7.03 Favored Pre-proline 0 C--N 1.37 1.458 0 C-N-CA 125.659 1.584 . . . . 0.0 110.664 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -87.61 147.51 7.26 Favored 'Trans proline' 0 C--N 1.363 1.336 0 C-N-CA 124.468 3.445 . . . . 0.0 113.655 178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.05 142.05 44.55 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 C-N-CA 127.151 2.181 . . . . 0.0 105.885 176.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -94.26 153.14 18.19 Favored 'General case' 0 C--N 1.364 1.212 0 O-C-N 118.47 -2.644 . . . . 0.0 108.77 175.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.5 tt -69.48 -29.15 66.74 Favored 'General case' 0 C--N 1.366 1.308 0 C-N-CA 125.369 1.468 . . . . 0.0 113.624 -178.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . 0.317 14.9 m 94.72 -160.58 0.0 OUTLIER 'General case' 0 C--N 1.358 0.959 0 C-N-CA 129.444 3.098 . . . . 0.0 112.488 172.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 74.05 -90.97 0.7 Allowed Glycine 0 C--N 1.365 2.152 0 C-N-CA 127.72 2.581 . . . . 0.0 114.969 -178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.54 ' H ' HD23 ' A' ' 127' ' ' LEU . 2.0 pt? -95.08 -21.75 18.34 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 126.884 2.074 . . . . 0.0 112.46 177.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . 0.273 66.5 mt-30 76.59 64.42 0.05 OUTLIER 'General case' 0 C--N 1.358 0.955 0 C-N-CA 128.884 2.874 . . . . 0.0 111.827 -177.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -104.54 -46.91 4.23 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 125.072 1.349 . . . . 0.0 111.861 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.4 mt -109.7 140.61 27.88 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 O-C-N 120.634 -1.291 . . . . 0.0 111.867 -176.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 51.7 m -108.28 135.19 50.02 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 128.282 2.633 . . . . 0.0 105.763 170.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -119.01 123.28 44.16 Favored 'General case' 0 C--N 1.363 1.169 0 N-CA-C 105.831 -1.915 . . . . 0.0 105.831 176.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.423 HD11 ' HA ' ' A' ' 100' ' ' ASP . 9.3 mt -125.86 146.34 31.79 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 -174.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -124.49 143.45 50.65 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 104.489 -2.412 . . . . 0.0 104.489 171.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.54 155.0 26.32 Favored Glycine 0 CA--C 1.487 -1.695 0 N-CA-C 108.936 -1.665 . . . . 0.0 108.936 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -148.17 161.05 42.23 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 117.952 0.876 . . . . 0.0 109.934 -177.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -121.0 141.29 50.86 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-O 122.429 1.109 . . . . 0.0 111.582 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -131.31 -98.63 0.32 Allowed 'General case' 0 C--N 1.354 0.769 0 C-N-CA 125.898 1.679 . . . . 0.0 107.461 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 170.18 -176.21 43.94 Favored Glycine 0 C--N 1.355 1.636 0 N-CA-C 108.103 -1.999 . . . . 0.0 108.103 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -152.65 84.7 1.24 Allowed 'General case' 0 C--N 1.359 1.021 0 C-N-CA 125.081 1.352 . . . . 0.0 109.323 -179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 68.93 -77.35 0.05 Allowed 'General case' 0 C--N 1.364 1.217 0 C-N-CA 129.251 3.021 . . . . 0.0 115.254 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.5 m -115.72 -25.3 3.26 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 C-N-CA 127.148 2.179 . . . . 0.0 110.224 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.357 1.701 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 -178.335 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.4 ttt . . . . . 0 N--CA 1.438 -1.034 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.4 t80 97.43 -77.02 0.0 OUTLIER 'General case' 0 C--N 1.361 1.083 0 C-N-CA 130.308 3.443 . . . . 0.0 107.386 -175.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 64.21 46.22 3.68 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 128.573 2.749 . . . . 0.0 116.504 173.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -160.22 160.04 32.25 Favored 'General case' 0 C--N 1.35 0.625 0 O-C-N 120.211 -1.556 . . . . 0.0 108.437 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -113.36 126.4 55.33 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 176.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.451 HH22 ' HG3' ' A' ' 97' ' ' PRO . 70.6 mtp85 -135.71 108.41 7.5 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 176.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -133.27 169.26 17.15 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 103.371 -2.825 . . . . 0.0 103.371 174.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -96.6 115.35 35.81 Favored 'Isoleucine or valine' 0 C--N 1.365 1.262 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 -178.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.7 mm -111.92 140.73 30.09 Favored 'Isoleucine or valine' 0 C--N 1.358 0.966 0 C-N-CA 126.645 1.978 . . . . 0.0 106.922 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.7 m -105.54 120.71 42.32 Favored 'General case' 0 C--N 1.369 1.416 0 CA-C-N 119.352 0.978 . . . . 0.0 110.806 -174.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.496 ' CZ ' HG22 ' A' ' 102' ' ' ILE . 93.2 m-85 -112.79 135.71 53.23 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 116.582 2.067 . . . . 0.0 116.582 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -121.19 154.49 36.17 Favored 'General case' 0 C--N 1.384 2.102 0 C-N-CA 128.114 2.566 . . . . 0.0 112.653 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 64.8 p -123.81 162.3 23.5 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 124.738 1.215 . . . . 0.0 110.523 175.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -105.21 116.58 32.18 Favored 'General case' 0 C--N 1.362 1.123 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.3 t -139.67 148.05 23.5 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 O-C-N 121.399 -0.813 . . . . 0.0 109.979 -166.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -87.97 60.85 6.06 Favored 'General case' 0 C--N 1.371 1.506 0 C-N-CA 125.232 1.413 . . . . 0.0 112.31 175.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.5 101.35 13.05 Favored 'General case' 0 C--N 1.362 1.141 0 C-N-CA 128.443 2.697 . . . . 0.0 108.214 177.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.8 t -139.41 -163.59 1.52 Allowed 'General case' 0 C--N 1.355 0.817 0 C-N-CA 125.1 1.36 . . . . 0.0 110.676 -174.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -108.96 -6.17 15.81 Favored 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.98 2.512 . . . . 0.0 111.346 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.2 -57.87 0.51 Allowed Glycine 0 C--N 1.36 1.912 0 C-N-CA 126.917 2.198 . . . . 0.0 113.293 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -107.55 -40.26 5.39 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.604 1.561 . . . . 0.0 113.652 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.39 59.03 4.96 Favored Glycine 0 C--N 1.368 2.345 0 O-C-N 119.721 -1.862 . . . . 0.0 115.612 -174.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 127.8 100.58 1.06 Allowed Glycine 0 C--N 1.355 1.612 0 C-N-CA 127.781 2.61 . . . . 0.0 110.494 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -110.4 64.1 0.61 Allowed 'General case' 0 C--N 1.357 0.922 0 CA-C-O 123.695 1.712 . . . . 0.0 109.389 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 11.7 t -150.58 -167.97 2.97 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 126.544 1.938 . . . . 0.0 107.494 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -112.34 138.74 48.64 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 126.464 1.906 . . . . 0.0 110.915 -171.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -124.52 141.46 52.07 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.173 1.389 . . . . 0.0 110.146 -175.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -87.75 112.8 22.8 Favored 'General case' 0 C--N 1.366 1.292 0 C-N-CA 128.375 2.67 . . . . 0.0 113.501 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.0 m -133.8 161.8 40.45 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 N-CA-C 106.834 -1.543 . . . . 0.0 106.834 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -72.59 122.59 21.62 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 127.386 2.275 . . . . 0.0 113.611 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -84.42 -45.11 13.05 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 129.136 2.974 . . . . 0.0 110.021 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.501 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 4.7 p90 -171.79 176.85 3.52 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 107.178 -1.415 . . . . 0.0 107.178 -179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 17.4 m -141.4 132.37 26.07 Favored 'General case' 0 CA--C 1.497 -1.062 1 N-CA-C 99.221 -4.363 . . . . 0.0 99.221 172.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -146.56 163.18 36.61 Favored 'General case' 0 CA--C 1.5 -0.967 0 N-CA-C 115.755 1.761 . . . . 0.0 115.755 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.73 113.38 20.35 Favored 'General case' 0 C--N 1.371 1.503 0 C-N-CA 125.321 1.448 . . . . 0.0 108.085 175.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -165.08 170.44 15.05 Favored 'General case' 0 N--CA 1.438 -1.032 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.271 -167.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -119.63 107.73 13.61 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 102.043 -3.317 . . . . 0.0 102.043 171.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.563 HG13 HG13 ' A' ' 94' ' ' ILE . 3.6 t -126.96 98.82 4.96 Favored 'Isoleucine or valine' 0 C--N 1.361 1.084 1 N-CA-C 99.209 -4.367 . . . . 0.0 99.209 -175.32 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.68 163.02 53.73 Favored Pre-proline 0 C--N 1.379 1.849 0 C-N-CA 125.521 1.528 . . . . 0.0 111.246 -172.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -71.54 145.9 48.29 Favored 'Trans proline' 0 C--N 1.374 1.882 1 C-N-CA 125.593 4.196 . . . . 0.0 110.568 171.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 pt -33.85 58.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.715 1 N-CA-C 122.722 4.341 . . . . 0.0 122.722 -178.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.0 t 67.21 29.72 7.56 Favored 'General case' 0 C--N 1.369 1.423 0 C-N-CA 128.346 2.658 . . . . 0.0 114.983 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 119.86 -150.33 0.0 OUTLIER 'General case' 0 C--N 1.358 0.967 1 C-N-CA 133.437 4.695 . . . . 0.0 101.565 -174.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -101.23 2.73 40.24 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 120.529 1.513 . . . . 0.0 111.358 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 70.28 -83.25 0.03 OUTLIER 'General case' 0 C--N 1.368 1.399 0 C-N-CA 128.685 2.794 . . . . 0.0 113.454 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -97.37 -22.26 16.72 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 126.483 1.913 . . . . 0.0 114.828 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -88.27 158.24 18.53 Favored 'General case' 0 C--N 1.363 1.175 0 N-CA-C 116.833 2.16 . . . . 0.0 116.833 -168.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -88.58 178.83 6.41 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 127.077 2.151 . . . . 0.0 114.015 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -88.0 5.34 41.33 Favored 'General case' 0 C--N 1.363 1.172 0 N-CA-C 118.457 2.762 . . . . 0.0 118.457 -171.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -156.3 156.72 34.5 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 104.328 -2.471 . . . . 0.0 104.328 174.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 88.68 45.13 0.01 OUTLIER 'General case' 0 C--N 1.358 0.967 0 C-N-CA 130.212 3.405 . . . . 0.0 106.789 -173.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.4 tp -122.46 72.29 1.06 Allowed 'General case' 0 C--N 1.357 0.925 0 C-N-CA 125.504 1.522 . . . . 0.0 108.894 -176.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -95.32 9.8 38.52 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.271 1.828 . . . . 0.0 111.372 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 83.5 m -158.59 133.2 5.38 Favored Pre-proline 0 C--N 1.353 0.742 0 N-CA-C 104.628 -2.36 . . . . 0.0 104.628 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.1 153.42 24.89 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 C-N-CA 124.658 3.572 . . . . 0.0 114.774 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 88.2 mt -104.57 -40.48 6.11 Favored 'Isoleucine or valine' 0 C--N 1.367 1.34 0 C-N-CA 125.036 1.334 . . . . 0.0 111.463 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -174.26 150.75 11.87 Favored Glycine 0 CA--C 1.484 -1.871 0 O-C-N 118.782 -2.449 . . . . 0.0 111.749 175.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -122.2 143.58 49.49 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 122.919 1.342 . . . . 0.0 108.468 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -127.53 120.92 29.35 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 127.471 2.308 . . . . 0.0 105.338 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.563 HG13 HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -149.27 145.98 17.47 Favored 'Isoleucine or valine' 0 C--N 1.35 0.61 0 CA-C-O 122.458 1.123 . . . . 0.0 113.227 -170.83 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.309 0.9 OUTLIER -131.72 132.76 44.14 Favored 'General case' 0 C--N 1.375 1.69 0 C-N-CA 126.141 1.776 . . . . 0.0 107.47 166.439 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.0 t -139.55 146.04 46.27 Favored Pre-proline 0 C--N 1.371 1.512 0 N-CA-C 104.103 -2.555 . . . . 0.0 104.103 174.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.451 ' HG3' HH22 ' A' ' 40' ' ' ARG . 97.5 Cg_endo -73.81 126.94 11.11 Favored 'Trans proline' 0 C--N 1.364 1.373 0 C-N-CA 124.999 3.799 . . . . 0.0 110.232 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.364 1.0 OUTLIER 46.46 -5.76 0.0 OUTLIER 'General case' 0 C--N 1.359 0.992 1 C-N-CA 132.344 4.257 . . . . 0.0 121.553 -175.789 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.77 125.96 35.12 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 119.308 -2.12 . . . . 0.0 112.656 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -110.92 24.82 12.46 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 127.317 2.247 . . . . 0.0 108.736 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.501 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 92.9 mtt180 -102.38 -12.35 17.96 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 117.588 2.44 . . . . 0.0 117.588 -171.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.496 HG22 ' CZ ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -47.41 -72.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.368 1.412 1 C-N-CA 132.22 4.208 . . . . 0.0 119.399 -177.693 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.493 ' H ' HG12 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -104.95 165.22 11.22 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 128.187 2.595 . . . . 0.0 109.666 179.066 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 118' ' ' ILE 0.339 47.2 tttm 103.0 77.23 0.0 OUTLIER 'General case' 0 C--N 1.372 1.545 0 C-N-CA 127.612 2.365 . . . . 0.0 111.796 176.068 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 66.9 tttt 81.23 21.71 0.36 Allowed 'General case' 0 C--N 1.371 1.509 0 C-N-CA 127.273 2.229 . . . . 0.0 110.032 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 24.7 mmt -109.47 165.78 11.39 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 120.637 -1.29 . . . . 0.0 112.385 -171.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -127.92 129.26 46.55 Favored 'General case' 0 C--N 1.36 1.061 0 C-N-CA 127.385 2.274 . . . . 0.0 105.159 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.514 HG11 ' CZ ' ' A' ' 117' ' ' PHE . 6.1 p -136.5 151.74 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-O 122.563 1.173 . . . . 0.0 110.021 -172.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 112' ' ' GLY . 4.1 mp -120.11 107.41 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 CA-C-N 112.819 -1.991 . . . . 0.0 107.005 174.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.11 101.56 13.32 Favored 'General case' 0 C--N 1.382 1.993 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 169.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 52.1 34.4 14.07 Favored 'General case' 0 C--N 1.367 1.361 0 N-CA-C 118.052 2.612 . . . . 0.0 118.052 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 109' ' ' ILE . . . 93.01 11.25 58.99 Favored Glycine 0 C--N 1.36 1.913 0 C-N-CA 125.433 1.492 . . . . 0.0 116.749 -173.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -105.95 115.42 30.19 Favored 'General case' 0 C--N 1.36 1.064 0 CA-C-N 119.667 1.734 . . . . 0.0 110.102 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 7.3 pt -94.11 112.8 27.54 Favored 'Isoleucine or valine' 0 C--N 1.366 1.321 0 C-N-CA 125.953 1.701 . . . . 0.0 114.157 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.4 t -131.77 155.86 42.05 Favored 'Isoleucine or valine' 0 C--N 1.365 1.276 0 C-N-CA 126.872 2.069 . . . . 0.0 108.5 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.9 t -127.7 141.61 51.55 Favored 'General case' 0 C--N 1.371 1.514 0 N-CA-C 105.308 -2.108 . . . . 0.0 105.308 173.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.514 ' CZ ' HG11 ' A' ' 108' ' ' VAL . 0.0 OUTLIER -162.72 172.72 14.86 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 117.316 2.339 . . . . 0.0 117.316 -164.494 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.513 ' HA ' ' HA ' ' A' ' 104' ' ' LYS . 24.0 pt -124.75 173.2 11.22 Favored 'Isoleucine or valine' 0 C--N 1.372 1.546 0 C-N-CA 131.214 3.806 . . . . 0.0 110.09 177.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 163.16 -158.73 31.15 Favored Glycine 0 C--N 1.364 2.127 0 N-CA-C 107.536 -2.226 . . . . 0.0 107.536 -176.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -158.83 109.39 1.6 Allowed Pre-proline 0 C--N 1.363 1.168 0 C-N-CA 125.748 1.619 . . . . 0.0 110.117 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -88.36 146.25 6.17 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 125.0 3.8 . . . . 0.0 115.072 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 91.0 t -132.52 147.69 31.9 Favored 'Isoleucine or valine' 0 C--N 1.364 1.217 0 N-CA-C 103.329 -2.841 . . . . 0.0 103.329 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -90.53 123.94 34.61 Favored 'General case' 0 C--N 1.372 1.567 0 C-N-CA 125.843 1.657 . . . . 0.0 108.623 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.4 tp -93.3 -36.51 12.52 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 117.705 2.483 . . . . 0.0 117.705 -169.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . 0.378 83.4 p 102.94 -112.89 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 127.71 2.404 . . . . 0.0 111.234 -176.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 90.54 -57.93 3.42 Favored Glycine 0 C--N 1.363 2.067 0 C-N-CA 127.439 2.447 . . . . 0.0 116.49 177.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 60.0 tp -150.19 -59.04 0.19 Allowed 'General case' 0 C--N 1.352 0.704 0 N-CA-C 106.907 -1.516 . . . . 0.0 106.907 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -101.22 -126.81 0.2 Allowed 'General case' 0 C--N 1.36 1.032 0 C-N-CA 127.506 2.322 . . . . 0.0 105.813 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -127.26 88.98 2.89 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 119.101 -2.25 . . . . 0.0 106.26 174.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.4 pp -92.39 133.92 32.18 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 O-C-N 118.967 -2.333 . . . . 0.0 109.916 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 48.2 m -98.55 130.64 45.11 Favored 'General case' 0 C--N 1.361 1.08 0 N-CA-C 106.497 -1.668 . . . . 0.0 106.497 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -125.02 132.36 53.25 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 126.017 1.727 . . . . 0.0 107.584 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.54 145.07 36.13 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.872 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -128.08 121.61 30.07 Favored 'General case' 0 C--N 1.358 0.944 0 N-CA-C 104.422 -2.436 . . . . 0.0 104.422 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -133.49 124.77 3.78 Favored Glycine 0 C--N 1.359 1.835 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 4.2 tmtp? -126.99 137.44 53.1 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 104.648 -2.353 . . . . 0.0 104.648 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -117.21 127.67 54.33 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 126.49 1.916 . . . . 0.0 108.521 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 20.6 t70 77.1 -65.05 0.3 Allowed 'General case' 0 C--N 1.367 1.335 0 C-N-CA 127.385 2.274 . . . . 0.0 113.595 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 138.87 -161.1 25.85 Favored Glycine 0 C--N 1.358 1.755 0 CA-C-O 123.081 1.378 . . . . 0.0 112.573 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -102.41 57.24 0.79 Allowed 'General case' 0 C--N 1.352 0.695 0 C-N-CA 127.444 2.298 . . . . 0.0 110.083 178.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -117.91 105.49 11.97 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 126.765 2.026 . . . . 0.0 106.239 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 10.2 p -120.38 141.24 41.59 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 C-N-CA 125.342 1.457 . . . . 0.0 108.26 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.423 0 N-CA-C 107.295 -2.322 . . . . 0.0 107.295 -179.529 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.436 -1.171 0 CA-C-O 122.257 1.027 . . . . 0.0 108.583 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -72.61 30.67 0.06 Allowed 'General case' 0 C--N 1.358 0.951 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 -177.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -162.14 40.12 0.12 Allowed 'General case' 0 C--N 1.351 0.667 0 C-N-CA 127.102 2.161 . . . . 0.0 105.91 177.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -123.57 69.43 1.03 Allowed 'General case' 0 C--N 1.358 0.944 0 O-C-N 120.267 -1.521 . . . . 0.0 109.213 -177.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.435 ' CZ ' ' CE2' ' A' ' 95' ' ' TYR . 27.1 m-85 -114.87 84.04 2.0 Favored 'General case' 0 C--N 1.359 1.01 0 C-N-CA 126.71 2.004 . . . . 0.0 108.16 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -90.77 -9.68 45.7 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 125.46 1.504 . . . . 0.0 111.586 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -116.84 135.5 53.69 Favored 'General case' 0 C--N 1.364 1.222 0 O-C-N 120.907 -1.121 . . . . 0.0 111.589 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.4 m -108.32 116.36 51.39 Favored 'Isoleucine or valine' 0 C--N 1.371 1.506 0 N-CA-C 103.522 -2.77 . . . . 0.0 103.522 172.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.31 171.01 14.65 Favored 'Isoleucine or valine' 0 C--N 1.344 0.342 0 O-C-N 119.895 -1.753 . . . . 0.0 112.561 -166.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -115.7 113.34 23.36 Favored 'General case' 0 C--N 1.369 1.433 0 C-N-CA 124.24 1.016 . . . . 0.0 111.32 -169.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.42 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 27.7 m-85 -107.61 130.5 54.89 Favored 'General case' 0 C--N 1.362 1.117 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -175.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -120.97 159.48 25.51 Favored 'General case' 0 C--N 1.386 2.17 0 C-N-CA 126.863 2.065 . . . . 0.0 115.533 -171.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 m -145.55 148.38 33.12 Favored 'General case' 0 C--N 1.374 1.655 0 C-N-CA 125.772 1.629 . . . . 0.0 109.772 173.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -115.65 125.95 53.53 Favored 'General case' 0 C--N 1.361 1.073 0 C-N-CA 125.942 1.697 . . . . 0.0 108.654 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.0 p -112.11 133.02 59.16 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 175.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -160.08 173.28 16.06 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -174.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -164.84 129.75 2.61 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 103.617 -2.735 . . . . 0.0 103.617 176.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 p -74.4 63.05 1.02 Allowed 'General case' 0 C--N 1.362 1.122 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . 0.267 63.4 t30 101.63 -71.36 0.0 OUTLIER 'General case' 0 C--N 1.362 1.134 0 C-N-CA 130.475 3.51 . . . . 0.0 110.209 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 33.41 -87.61 0.01 OUTLIER Glycine 0 C--N 1.369 2.392 0 C-N-CA 130.025 3.679 . . . . 0.0 120.625 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -102.96 30.63 4.66 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 125.896 1.678 . . . . 0.0 114.106 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.3 27.07 10.31 Favored Glycine 0 C--N 1.363 2.04 0 C-N-CA 125.477 1.513 . . . . 0.0 114.215 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -99.42 84.26 0.62 Allowed Glycine 0 C--N 1.353 1.51 0 C-N-CA 127.002 2.239 . . . . 0.0 112.557 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -104.02 12.93 33.53 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 126.805 2.042 . . . . 0.0 110.864 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 53.4 m -154.58 150.82 28.14 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 102.358 -3.201 . . . . 0.0 102.358 177.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -117.72 166.84 11.95 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 124.882 1.273 . . . . 0.0 110.917 -173.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -122.95 122.97 39.85 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-O 121.572 0.701 . . . . 0.0 111.822 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -104.32 123.47 47.45 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 127.678 2.391 . . . . 0.0 107.023 175.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.7 m -131.14 161.27 41.36 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 O-C-N 121.248 -0.907 . . . . 0.0 109.299 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -90.24 115.02 27.14 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 127.506 2.322 . . . . 0.0 104.889 172.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -68.59 -48.57 63.83 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 127.552 2.341 . . . . 0.0 112.457 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.42 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 2.3 p90 -171.07 172.22 5.49 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.02 132.44 41.86 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 101.117 -3.661 . . . . 0.0 101.117 176.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.1 164.2 38.14 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 122.353 1.073 . . . . 0.0 113.893 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.88 121.41 27.69 Favored 'General case' 0 C--N 1.363 1.152 0 C-N-CA 126.501 1.921 . . . . 0.0 107.338 171.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -164.09 164.58 22.82 Favored 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 120.601 -1.312 . . . . 0.0 107.711 -172.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -124.5 106.15 9.95 Favored 'General case' 0 C--N 1.359 1.014 0 N-CA-C 101.818 -3.401 . . . . 0.0 101.818 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.411 HG22 HG21 ' A' ' 102' ' ' ILE . 36.8 t -107.26 117.12 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 128.142 2.577 . . . . 0.0 104.554 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -140.9 164.19 37.74 Favored Pre-proline 0 C--N 1.357 0.914 0 O-C-N 120.296 -1.503 . . . . 0.0 110.327 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -69.11 156.2 65.76 Favored 'Trans proline' 0 CA--C 1.552 1.414 1 C-N-CA 125.752 4.301 . . . . 0.0 113.071 175.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 tt -70.32 32.9 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.561 1.402 0 CA-C-N 122.094 2.225 . . . . 0.0 116.765 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.1 m 169.45 107.11 0.01 OUTLIER 'General case' 0 C--N 1.355 0.818 0 C-N-CA 130.412 3.485 . . . . 0.0 107.635 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -91.7 13.94 16.68 Favored 'General case' 0 C--N 1.368 1.371 0 O-C-N 119.868 -1.77 . . . . 0.0 113.36 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -85.46 9.4 15.84 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 129.11 2.964 . . . . 0.0 112.594 177.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -147.11 160.94 41.82 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 127.267 2.227 . . . . 0.0 105.255 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -79.08 -20.29 49.15 Favored 'General case' 0 C--N 1.352 0.694 0 C-N-CA 129.272 3.029 . . . . 0.0 115.257 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -166.0 -162.64 0.56 Allowed 'General case' 0 C--N 1.351 0.641 0 N-CA-C 103.623 -2.732 . . . . 0.0 103.623 -177.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -130.2 73.7 1.55 Allowed 'General case' 0 C--N 1.351 0.667 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 173.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.11 -21.19 64.96 Favored 'General case' 0 C--N 1.358 0.943 0 N-CA-C 117.886 2.55 . . . . 0.0 117.886 -175.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -118.55 90.86 3.42 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 126.58 1.952 . . . . 0.0 111.929 -177.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -89.66 72.13 7.77 Favored 'General case' 0 C--N 1.366 1.289 0 O-C-N 119.264 -2.148 . . . . 0.0 115.165 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.9 tp -137.92 138.0 38.57 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 102.589 -3.115 . . . . 0.0 102.589 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 80.86 -67.24 0.12 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.329 2.252 . . . . 0.0 112.111 -175.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.6 m -117.89 107.37 44.24 Favored Pre-proline 0 C--N 1.354 0.778 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -80.03 124.14 5.4 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 124.057 3.172 . . . . 0.0 110.572 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . 0.314 13.4 tt -1.77 81.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.374 1.655 1 C-N-CA 132.057 4.143 . . . . 0.0 119.065 179.246 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -108.87 149.04 16.98 Favored Glycine 0 C--N 1.365 2.177 0 CA-C-N 114.742 -1.117 . . . . 0.0 113.797 -171.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.404 ' CE1' HG21 ' A' ' 115' ' ' VAL . 4.6 m-85 -113.14 159.02 19.67 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 124.833 2.254 . . . . 0.0 111.548 178.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 32.2 t30 -124.38 120.58 32.52 Favored 'General case' 0 N--CA 1.436 -1.146 0 N-CA-C 103.174 -2.898 . . . . 0.0 103.174 174.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.41 HD12 HG22 ' A' ' 72' ' ' VAL . 3.6 mm -120.81 133.02 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 C-N-CA 124.88 1.272 . . . . 0.0 108.254 -178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.435 ' CE2' ' CZ ' ' A' ' 39' ' ' PHE 0.391 1.8 p90 -129.82 140.55 51.0 Favored 'General case' 0 C--N 1.356 0.853 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 164.601 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 m -139.82 151.88 66.8 Favored Pre-proline 0 C--N 1.354 0.774 0 C-N-CA 126.235 1.814 . . . . 0.0 108.324 -171.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -75.8 125.78 9.02 Favored 'Trans proline' 0 CA--C 1.556 1.588 0 CA-C-N 125.591 3.032 . . . . 0.0 108.229 162.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.361 0.0 OUTLIER 34.51 2.42 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.911 2 N-CA-C 124.731 5.086 . . . . 0.0 124.731 -176.201 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -103.38 131.94 50.05 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 119.694 -1.879 . . . . 0.0 112.261 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -107.68 25.95 10.88 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 126.486 1.914 . . . . 0.0 111.513 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.9 ttp-105 -102.54 1.42 34.95 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 119.506 3.15 . . . . 0.0 119.506 -167.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.602 HG23 HG11 ' A' ' 108' ' ' VAL . 3.2 mp -72.0 -67.42 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.673 0 CA-C-N 123.531 2.878 . . . . 0.0 113.194 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.497 ' HB3' ' CE1' ' A' ' 117' ' ' PHE . 35.3 p30 -116.11 113.79 23.62 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -179.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -165.96 53.28 0.1 Allowed 'General case' 0 C--N 1.352 0.715 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 174.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 37.7 tttp 76.75 69.02 0.06 Allowed 'General case' 0 C--N 1.372 1.557 0 C-N-CA 129.587 3.155 . . . . 0.0 111.085 -174.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 20.9 mtt -148.64 176.8 10.04 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 124.533 1.133 . . . . 0.0 108.835 -169.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.3 mpm_? -133.97 134.41 42.48 Favored 'General case' 0 C--N 1.367 1.342 0 N-CA-C 106.175 -1.787 . . . . 0.0 106.175 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.602 HG11 HG23 ' A' ' 102' ' ' ILE . 35.2 m -132.22 146.16 33.54 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 CA-C-O 122.699 1.237 . . . . 0.0 113.617 -176.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.3 mp -105.17 107.45 22.61 Favored 'Isoleucine or valine' 0 C--N 1.367 1.338 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 170.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.454 ' N ' ' CD1' ' A' ' 110' ' ' TYR 0.253 1.3 p90 -112.08 111.54 22.52 Favored 'General case' 0 C--N 1.369 1.454 0 C-N-CA 126.741 2.016 . . . . 0.0 107.459 173.792 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 58.81 31.71 21.51 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 126.939 2.096 . . . . 0.0 116.584 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 87.42 -2.21 86.34 Favored Glycine 0 C--N 1.359 1.812 0 N-CA-C 116.22 1.248 . . . . 0.0 116.22 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -97.02 140.95 30.78 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 125.739 1.616 . . . . 0.0 108.443 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 12.1 mt -118.68 124.61 73.42 Favored 'Isoleucine or valine' 0 C--N 1.369 1.431 0 CA-C-N 119.366 0.985 . . . . 0.0 109.739 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.404 HG21 ' CE1' ' A' ' 92' ' ' TYR . 9.8 p -131.78 152.1 36.4 Favored 'Isoleucine or valine' 0 C--N 1.36 1.022 0 C-N-CA 125.298 1.439 . . . . 0.0 110.561 177.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.1 t -119.07 135.54 54.59 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 129.04 2.936 . . . . 0.0 106.944 176.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 103' ' ' ASP . 0.0 OUTLIER -171.35 158.8 5.46 Favored 'General case' 0 C--N 1.367 1.354 0 N-CA-C 116.087 1.884 . . . . 0.0 116.087 -172.296 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.2 tp -120.2 118.45 56.86 Favored 'Isoleucine or valine' 0 C--N 1.37 1.498 0 C-N-CA 125.97 1.708 . . . . 0.0 108.902 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -126.69 174.64 18.07 Favored Glycine 0 C--N 1.363 2.047 0 O-C-N 120.546 -1.346 . . . . 0.0 115.564 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -129.32 128.6 23.22 Favored Pre-proline 0 C--N 1.357 0.896 0 C-N-CA 127.386 2.274 . . . . 0.0 109.282 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -96.43 153.65 1.27 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 123.901 3.068 . . . . 0.0 114.975 -177.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 18.0 t -131.99 126.32 56.43 Favored 'Isoleucine or valine' 0 C--N 1.368 1.381 0 C-N-CA 128.406 2.682 . . . . 0.0 107.758 175.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -102.02 153.85 19.51 Favored 'General case' 0 C--N 1.368 1.401 0 O-C-N 119.843 -1.786 . . . . 0.0 112.657 177.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -93.15 -2.25 55.53 Favored 'General case' 0 C--N 1.367 1.343 0 C-N-CA 128.52 2.728 . . . . 0.0 114.889 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 60.3 m -24.09 86.96 0.0 OUTLIER 'General case' 0 C--N 1.368 1.386 0 N-CA-C 121.222 3.786 . . . . 0.0 121.222 -177.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.71 -21.77 8.95 Favored Glycine 0 C--N 1.354 1.58 0 N-CA-C 111.711 -0.556 . . . . 0.0 111.711 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 28.7 tp -101.1 -45.27 5.44 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 125.706 1.603 . . . . 0.0 108.319 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -144.83 -168.61 2.97 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 175.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -127.19 17.07 7.19 Favored 'General case' 0 C--N 1.364 1.226 0 CA-C-O 123.737 1.732 . . . . 0.0 109.82 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.8 pp -107.11 140.74 24.27 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 O-C-N 120.093 -1.629 . . . . 0.0 111.087 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 23.6 m -98.73 138.59 35.67 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 125.145 1.378 . . . . 0.0 108.916 176.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -119.74 122.68 41.96 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 105.511 -2.033 . . . . 0.0 105.511 176.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.5 mp -123.22 134.39 66.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -119.67 132.78 55.76 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 175.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.53 144.76 13.13 Favored Glycine 0 C--N 1.368 2.328 0 C-N-CA 124.988 1.28 . . . . 0.0 111.277 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -126.91 172.46 10.41 Favored 'General case' 0 C--N 1.35 0.621 0 N-CA-C 107.332 -1.359 . . . . 0.0 107.332 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -101.87 108.1 19.47 Favored 'General case' 0 C--N 1.37 1.491 0 O-C-N 120.53 -1.356 . . . . 0.0 107.774 177.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -171.18 -161.55 0.22 Allowed 'General case' 0 C--N 1.355 0.818 0 N-CA-C 104.447 -2.427 . . . . 0.0 104.447 -176.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -168.93 -179.52 41.07 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 107.015 -2.434 . . . . 0.0 107.015 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -127.91 101.0 6.14 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 118.492 1.146 . . . . 0.0 110.475 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -164.59 168.69 17.92 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 104.734 -2.321 . . . . 0.0 104.734 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 15.6 m -98.1 -13.59 8.03 Favored 'Isoleucine or valine' 0 C--N 1.361 1.104 0 C-N-CA 126.602 1.961 . . . . 0.0 114.534 -176.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 1.77 0 C-N-CA 125.189 1.376 . . . . 0.0 113.041 179.815 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.5 ppp? . . . . . 0 N--CA 1.442 -0.849 0 CA-C-O 121.692 0.758 . . . . 0.0 109.111 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -104.58 92.53 4.33 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.803 1.641 . . . . 0.0 106.913 177.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 86.9 -17.06 0.37 Allowed 'General case' 0 C--N 1.367 1.352 0 C-N-CA 131.491 3.917 . . . . 0.0 112.049 -175.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 84.39 43.44 0.02 OUTLIER 'General case' 0 C--N 1.363 1.176 0 C-N-CA 131.493 3.917 . . . . 0.0 108.413 -173.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -111.82 127.36 55.79 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 126.67 1.988 . . . . 0.0 112.347 -172.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.414 HH22 HE22 ' A' ' 128' ' ' GLN . 35.8 mmt180 -141.23 93.53 2.59 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 177.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -124.03 150.73 44.57 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.1 t -97.15 115.46 36.86 Favored 'Isoleucine or valine' 0 C--N 1.368 1.375 0 CA-C-O 123.515 1.626 . . . . 0.0 108.2 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.2 pt -117.22 170.56 6.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 O-C-N 120.338 -1.476 . . . . 0.0 109.979 -177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 92.7 m -121.38 125.43 46.93 Favored 'General case' 0 C--N 1.373 1.628 0 O-C-N 120.736 -1.227 . . . . 0.0 110.625 -178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.426 ' CG ' ' CZ ' ' A' ' 66' ' ' PHE . 75.1 m-85 -105.34 130.89 53.35 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 125.964 1.706 . . . . 0.0 110.873 179.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -131.81 146.33 52.08 Favored 'General case' 0 C--N 1.373 1.594 0 C-N-CA 125.912 1.685 . . . . 0.0 110.579 -176.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 85.4 p -126.36 157.78 37.59 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 120.534 -1.354 . . . . 0.0 112.981 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -107.23 118.72 37.45 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 129.711 3.204 . . . . 0.0 104.47 176.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.9 p -144.78 155.09 14.34 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 O-C-N 120.758 -1.214 . . . . 0.0 110.98 -168.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -87.39 -26.74 23.17 Favored 'General case' 0 C--N 1.367 1.351 0 N-CA-C 114.673 1.361 . . . . 0.0 114.673 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 68.21 -55.08 0.51 Allowed 'General case' 0 C--N 1.361 1.065 0 C-N-CA 127.327 2.251 . . . . 0.0 116.892 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . 0.268 10.7 t 106.94 13.32 0.0 OUTLIER 'General case' 0 C--N 1.368 1.398 0 C-N-CA 130.859 3.664 . . . . 0.0 111.9 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.1 p-10 -149.03 62.02 1.05 Allowed 'General case' 0 C--N 1.353 0.737 0 C-N-CA 123.787 0.835 . . . . 0.0 111.244 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -140.65 65.64 0.51 Allowed Glycine 0 C--N 1.358 1.783 0 N-CA-C 107.87 -2.092 . . . . 0.0 107.87 176.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 81.91 -40.12 0.12 Allowed 'General case' 0 C--N 1.365 1.255 0 C-N-CA 128.441 2.696 . . . . 0.0 113.304 -176.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -153.0 -146.52 4.38 Favored Glycine 0 C--N 1.35 1.359 0 N-CA-C 103.727 -3.749 . . . . 0.0 103.727 172.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -139.26 28.5 2.58 Favored Glycine 0 C--N 1.358 1.796 0 CA-C-N 118.898 1.349 . . . . 0.0 111.971 178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -124.51 52.2 1.54 Allowed 'General case' 0 C--N 1.359 0.99 0 C-N-CA 125.546 1.538 . . . . 0.0 108.669 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 10.0 t -153.98 149.22 27.01 Favored 'General case' 0 C--N 1.359 0.985 0 N-CA-C 104.602 -2.37 . . . . 0.0 104.602 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -113.91 127.9 56.17 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 124.759 1.223 . . . . 0.0 111.165 -176.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -120.95 142.75 49.45 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.226 1.811 . . . . 0.0 109.648 -175.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -91.23 131.34 36.82 Favored 'General case' 0 C--N 1.357 0.926 0 C-N-CA 126.687 1.995 . . . . 0.0 111.606 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.2 p -143.4 164.29 15.7 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.37 146.44 26.46 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 125.855 1.662 . . . . 0.0 107.867 173.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -100.8 -61.65 1.34 Allowed 'General case' 0 C--N 1.354 0.78 0 CA-C-O 122.623 1.202 . . . . 0.0 110.05 -174.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.426 ' CZ ' ' CG ' ' A' ' 45' ' ' PHE . 5.4 p90 -162.93 174.53 12.23 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 104.878 -2.268 . . . . 0.0 104.878 -177.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -135.88 133.23 37.52 Favored 'General case' 0 CA--C 1.506 -0.723 0 N-CA-C 101.752 -3.425 . . . . 0.0 101.752 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.72 164.84 33.18 Favored 'General case' 0 CA--C 1.498 -1.055 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -173.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.98 114.53 20.62 Favored 'General case' 0 C--N 1.371 1.523 0 CA-C-O 123.947 1.832 . . . . 0.0 106.529 170.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -158.12 166.83 31.49 Favored 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 114.185 -1.371 . . . . 0.0 107.727 -172.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -128.22 107.53 9.86 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 101.758 -3.423 . . . . 0.0 101.758 171.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.41 ' HA ' HG23 ' A' ' 94' ' ' ILE . 9.1 t -110.33 103.24 15.18 Favored 'Isoleucine or valine' 0 C--N 1.373 1.614 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -138.61 152.77 71.54 Favored Pre-proline 0 C--N 1.361 1.106 0 O-C-N 118.806 -2.434 . . . . 0.0 111.938 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -71.61 150.03 56.29 Favored 'Trans proline' 0 C--N 1.364 1.381 0 C-N-CA 124.996 3.797 . . . . 0.0 113.937 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 9.6 tt -92.69 63.62 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.174 0 CA-C-O 125.471 2.557 . . . . 0.0 110.337 175.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.7 p -79.0 81.35 5.28 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 128.978 2.911 . . . . 0.0 111.776 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -127.23 -116.34 0.27 Allowed 'General case' 0 CA--C 1.507 -0.683 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 -177.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -80.63 -46.17 16.09 Favored 'General case' 0 C--N 1.357 0.893 0 C-N-CA 125.739 1.616 . . . . 0.0 112.55 177.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 77.47 74.87 0.07 Allowed 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.348 2.659 . . . . 0.0 109.645 -176.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -71.95 -12.38 61.22 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 117.971 2.582 . . . . 0.0 117.971 -170.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.0 t80 97.76 174.61 0.01 OUTLIER 'General case' 0 C--N 1.362 1.145 0 C-N-CA 130.045 3.338 . . . . 0.0 109.477 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -161.68 151.81 17.11 Favored 'General case' 0 C--N 1.352 0.699 0 N-CA-C 103.263 -2.865 . . . . 0.0 103.263 178.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -74.87 29.73 0.09 Allowed 'General case' 0 C--N 1.361 1.081 0 C-N-CA 127.741 2.417 . . . . 0.0 117.246 -176.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -116.08 130.46 56.82 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 126.739 2.016 . . . . 0.0 108.872 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -112.99 27.88 9.26 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 127.09 2.156 . . . . 0.0 109.627 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.8 tp -154.97 83.03 1.08 Allowed 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.958 1.303 . . . . 0.0 107.903 -176.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -161.72 179.4 8.16 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.8 p -96.76 141.35 22.95 Favored Pre-proline 0 C--N 1.358 0.939 0 C-N-CA 128.437 2.695 . . . . 0.0 107.354 178.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -76.62 123.48 7.0 Favored 'Trans proline' 0 C--N 1.358 1.061 0 CA-C-N 125.212 2.897 . . . . 0.0 110.72 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . 0.288 55.2 mt 86.88 114.6 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.366 1.326 0 C-N-CA 129.239 3.016 . . . . 0.0 107.841 -170.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -93.01 176.44 37.52 Favored Glycine 0 C--N 1.358 1.776 0 O-C-N 119.683 -1.886 . . . . 0.0 111.988 176.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . 0.277 6.2 m-85 -106.09 157.22 17.7 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-O 125.32 2.486 . . . . 0.0 109.555 178.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER -127.35 118.06 23.42 Favored 'General case' 0 N--CA 1.441 -0.899 1 N-CA-C 99.581 -4.229 . . . . 0.0 99.581 176.475 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.41 HG23 ' HA ' ' A' ' 72' ' ' VAL . 9.1 mt -147.09 142.23 20.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 O-C-N 121.101 -0.999 . . . . 0.0 110.947 -169.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.14 139.2 52.03 Favored 'General case' 0 C--N 1.368 1.396 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 169.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.1 t -139.99 142.25 29.91 Favored Pre-proline 0 C--N 1.368 1.406 0 N-CA-C 103.127 -2.916 . . . . 0.0 103.127 162.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -61.06 126.85 20.54 Favored 'Trans proline' 0 C--N 1.369 1.62 1 C-N-CA 125.337 4.025 . . . . 0.0 112.052 176.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.364 0.7 OUTLIER 28.32 16.56 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.664 2 C-N-CA 135.826 5.651 . . . . 0.0 122.432 -174.338 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -103.34 131.26 50.55 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 119.98 -1.7 . . . . 0.0 110.281 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -99.8 31.81 3.11 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 127.185 2.194 . . . . 0.0 112.438 -175.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -103.14 -47.58 4.29 Favored 'General case' 0 C--N 1.356 0.888 0 N-CA-C 118.071 2.619 . . . . 0.0 118.071 -176.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.43 HG12 ' H ' ' A' ' 103' ' ' ASP . 0.1 OUTLIER -9.31 -67.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.388 2.251 1 C-N-CA 133.058 4.543 . . . . 0.0 120.614 178.641 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.43 ' H ' HG12 ' A' ' 102' ' ' ILE . 55.5 t0 -135.22 111.4 9.63 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 100.769 -3.789 . . . . 0.0 100.769 170.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -147.95 -83.9 0.11 Allowed 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 101.557 -3.498 . . . . 0.0 101.557 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -142.49 90.24 2.21 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 100.372 -3.936 . . . . 0.0 100.372 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.8 ttm -158.76 170.78 21.38 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 120.527 -1.358 . . . . 0.0 111.455 -169.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -128.85 134.51 48.34 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 173.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.8 m -134.84 151.21 30.88 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.965 0 O-C-N 120.487 -1.383 . . . . 0.0 109.075 -177.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.4 pt -112.19 107.8 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 101.863 -3.384 . . . . 0.0 101.863 166.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -96.6 107.16 19.55 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 130.596 3.558 . . . . 0.0 103.855 173.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 46.29 32.73 1.59 Allowed 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 128.818 2.847 . . . . 0.0 118.468 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.63 8.47 62.26 Favored Glycine 0 C--N 1.364 2.124 0 C-N-CA 126.059 1.79 . . . . 0.0 116.065 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -110.81 124.3 51.76 Favored 'General case' 0 C--N 1.361 1.07 0 CA-C-N 119.597 1.698 . . . . 0.0 108.028 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.3 tt -92.54 127.72 44.54 Favored 'Isoleucine or valine' 0 C--N 1.363 1.189 0 CA-C-O 123.38 1.562 . . . . 0.0 113.86 -175.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.7 t -128.66 137.62 56.83 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 C-N-CA 127.447 2.299 . . . . 0.0 108.665 -175.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.1 t -123.88 126.53 46.56 Favored 'General case' 0 C--N 1.368 1.374 0 N-CA-C 104.909 -2.256 . . . . 0.0 104.909 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.83 155.16 11.98 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-O 122.941 1.353 . . . . 0.0 114.572 -171.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 10.9 tt -117.48 135.17 58.73 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 C-N-CA 127.468 2.307 . . . . 0.0 108.694 177.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -156.99 -169.77 21.23 Favored Glycine 0 C--N 1.36 1.897 0 O-C-N 120.291 -1.506 . . . . 0.0 112.076 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -151.6 96.72 3.15 Favored Pre-proline 0 C--N 1.362 1.126 0 C-N-CA 126.406 1.882 . . . . 0.0 111.718 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_exo -72.69 146.82 44.0 Favored 'Trans proline' 0 CA--C 1.547 1.138 1 C-N-CA 125.66 4.24 . . . . 0.0 116.336 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.4 p -132.78 148.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 C-N-CA 125.774 1.63 . . . . 0.0 113.14 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -94.79 99.77 11.78 Favored 'General case' 0 C--N 1.367 1.357 0 O-C-N 120.006 -1.684 . . . . 0.0 108.074 172.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 31.3 tp -63.79 -11.29 25.53 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 129.569 3.148 . . . . 0.0 117.963 -173.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.3 p 173.52 -45.32 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 126.679 1.992 . . . . 0.0 107.593 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.86 -68.74 0.52 Allowed Glycine 0 CA--C 1.489 -1.533 0 N-CA-C 106.667 -2.573 . . . . 0.0 106.667 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . 0.257 0.1 OUTLIER 70.76 -92.11 0.03 OUTLIER 'General case' 0 C--N 1.358 0.963 0 C-N-CA 128.655 2.782 . . . . 0.0 113.501 177.305 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.414 HE22 HH22 ' A' ' 40' ' ' ARG . 0.0 OUTLIER -118.94 23.72 11.24 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 126.363 1.865 . . . . 0.0 108.482 173.182 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 80.55 56.67 0.02 OUTLIER 'General case' 0 C--N 1.358 0.936 0 C-N-CA 129.023 2.929 . . . . 0.0 112.211 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 15.1 pt -100.7 131.53 48.12 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 C-N-CA 124.472 1.109 . . . . 0.0 113.218 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 86.3 m -110.41 119.47 39.31 Favored 'General case' 0 C--N 1.364 1.233 0 N-CA-C 104.445 -2.428 . . . . 0.0 104.445 170.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -123.97 138.08 54.52 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 125.464 1.506 . . . . 0.0 111.056 -172.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.13 120.38 64.71 Favored 'Isoleucine or valine' 0 C--N 1.356 0.879 0 N-CA-C 106.341 -1.725 . . . . 0.0 106.341 171.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -128.82 110.45 12.15 Favored 'General case' 0 C--N 1.353 0.737 0 C-N-CA 125.127 1.371 . . . . 0.0 108.06 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.99 142.96 10.8 Favored Glycine 0 C--N 1.358 1.754 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -144.27 126.93 16.11 Favored 'General case' 0 CA--C 1.502 -0.88 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 175.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -131.34 132.79 44.73 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 124.431 1.092 . . . . 0.0 111.772 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.8 t70 53.2 -85.38 0.01 OUTLIER 'General case' 0 C--N 1.368 1.397 0 C-N-CA 128.667 2.787 . . . . 0.0 118.067 173.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 104.77 -66.0 0.29 Allowed Glycine 0 C--N 1.354 1.561 0 C-N-CA 125.977 1.751 . . . . 0.0 115.574 173.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . 82.17 -62.72 0.15 Allowed 'General case' 0 C--N 1.357 0.895 0 C-N-CA 128.324 2.65 . . . . 0.0 111.357 -176.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -103.23 137.87 40.79 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 104.796 -2.298 . . . . 0.0 104.796 171.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 11.1 m -77.93 -36.05 21.47 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -173.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 1.855 0 C-N-CA 124.77 1.176 . . . . 0.0 113.345 -178.359 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 90.2 mtp . . . . . 0 N--CA 1.441 -0.908 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -104.82 125.84 51.28 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 126.853 2.061 . . . . 0.0 110.236 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -76.25 61.91 1.69 Allowed 'General case' 0 C--N 1.361 1.085 0 C-N-CA 127.486 2.314 . . . . 0.0 114.594 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 68.96 -53.45 0.57 Allowed 'General case' 0 C--N 1.366 1.292 0 C-N-CA 128.549 2.739 . . . . 0.0 115.166 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -159.96 130.29 5.54 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 175.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -156.14 99.01 1.91 Allowed 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 106.232 -1.766 . . . . 0.0 106.232 172.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -114.13 159.15 20.38 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 120.101 -1.625 . . . . 0.0 107.21 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -96.51 114.7 34.0 Favored 'Isoleucine or valine' 0 C--N 1.37 1.482 0 N-CA-C 106.03 -1.841 . . . . 0.0 106.03 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.488 HD12 ' HB3' ' A' ' 70' ' ' ALA . 33.6 mt -107.3 156.3 7.79 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 128.662 2.785 . . . . 0.0 109.865 -170.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.5 m -120.8 111.23 17.3 Favored 'General case' 0 C--N 1.37 1.474 0 O-C-N 121.133 -0.979 . . . . 0.0 109.381 -178.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 82.9 m-85 -107.48 132.75 52.88 Favored 'General case' 0 C--N 1.363 1.153 0 N-CA-C 116.389 1.996 . . . . 0.0 116.389 -178.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -123.05 159.86 27.56 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 126.756 2.022 . . . . 0.0 108.849 171.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.3 t -121.14 148.77 43.75 Favored 'General case' 0 C--N 1.374 1.642 0 C-N-CA 128.118 2.567 . . . . 0.0 112.86 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -119.2 119.0 32.82 Favored 'General case' 0 C--N 1.359 1.021 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 174.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.4 t -110.08 117.78 55.5 Favored 'Isoleucine or valine' 0 C--N 1.361 1.092 0 N-CA-C 105.868 -1.901 . . . . 0.0 105.868 176.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -131.52 127.47 37.31 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 104.697 -2.335 . . . . 0.0 104.697 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -169.33 157.31 7.4 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -173.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 t -100.72 136.94 39.79 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 125.583 1.553 . . . . 0.0 109.043 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -117.85 33.36 5.67 Favored 'General case' 0 C--N 1.361 1.095 0 CA-C-O 122.035 0.922 . . . . 0.0 110.642 -172.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.88 -47.58 1.01 Allowed Glycine 0 C--N 1.358 1.753 0 C-N-CA 126.593 2.044 . . . . 0.0 110.034 -178.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -161.29 179.14 8.57 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 103.93 -2.619 . . . . 0.0 103.93 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.96 -66.44 0.52 Allowed Glycine 0 C--N 1.365 2.156 0 C-N-CA 124.736 1.16 . . . . 0.0 111.333 177.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.51 -72.1 2.56 Favored Glycine 0 C--N 1.358 1.774 0 O-C-N 121.28 -1.129 . . . . 0.0 114.003 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -96.76 62.45 1.93 Allowed 'General case' 0 C--N 1.355 0.813 0 C-N-CA 125.665 1.586 . . . . 0.0 112.939 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.8 t -129.97 113.63 14.83 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 104.956 -2.238 . . . . 0.0 104.956 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -135.17 166.13 23.8 Favored 'General case' 0 N--CA 1.439 -0.983 0 C-N-CA 125.136 1.375 . . . . 0.0 110.263 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -136.84 134.02 36.48 Favored 'General case' 0 C--N 1.351 0.645 0 C-N-CA 126.55 1.94 . . . . 0.0 109.466 173.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -107.94 122.86 47.69 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 129.437 3.095 . . . . 0.0 107.215 175.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -129.03 166.9 25.48 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 O-C-N 120.949 -1.094 . . . . 0.0 108.174 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -97.69 135.4 39.54 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 125.766 1.626 . . . . 0.0 107.155 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -98.19 -68.29 0.81 Allowed 'General case' 0 C--N 1.365 1.259 0 O-C-N 121.121 -0.987 . . . . 0.0 112.7 -173.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.424 ' CZ ' ' CD1' ' A' ' 45' ' ' PHE . 6.7 p90 -164.91 175.16 9.8 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 -177.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.6 t -136.99 132.96 35.05 Favored 'General case' 0 C--N 1.349 0.562 0 N-CA-C 102.732 -3.062 . . . . 0.0 102.732 170.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.15 165.06 37.04 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.36 121.94 26.84 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.308 1.843 . . . . 0.0 109.386 177.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.488 ' HB3' HD12 ' A' ' 43' ' ' ILE . . . -169.01 171.88 7.93 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 122.803 1.287 . . . . 0.0 112.912 -162.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -129.58 122.06 28.37 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 165.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.416 ' HA ' HG12 ' A' ' 94' ' ' ILE . 10.6 t -107.72 102.11 13.49 Favored 'Isoleucine or valine' 0 C--N 1.374 1.652 0 N-CA-C 102.661 -3.088 . . . . 0.0 102.661 171.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -113.79 138.77 22.86 Favored Pre-proline 0 C--N 1.357 0.898 0 O-C-N 119.597 -1.939 . . . . 0.0 112.3 -172.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -71.61 155.89 58.42 Favored 'Trans proline' 0 CA--C 1.551 1.338 0 CA-C-N 126.359 3.307 . . . . 0.0 114.099 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.3 pt -65.38 64.83 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.379 1.887 0 C-N-CA 127.838 2.455 . . . . 0.0 112.963 172.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.0 m -55.93 96.61 0.02 OUTLIER 'General case' 0 C--N 1.348 0.506 1 C-N-CA 133.67 4.788 . . . . 0.0 117.29 -173.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -95.2 169.34 10.16 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 127.508 2.323 . . . . 0.0 111.621 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -100.01 7.83 44.45 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 126.123 1.769 . . . . 0.0 114.285 -173.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . 0.396 7.7 pt-20 64.87 -42.56 0.31 Allowed 'General case' 0 C--N 1.358 0.946 0 C-N-CA 130.355 3.462 . . . . 0.0 118.897 178.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -69.95 -13.08 62.07 Favored 'General case' 0 C--N 1.362 1.127 0 C-N-CA 128.913 2.885 . . . . 0.0 116.187 -178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . 0.261 48.1 p90 -131.22 150.33 52.19 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 105.549 -2.019 . . . . 0.0 105.549 174.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 92.6 mttt 79.97 30.88 0.24 Allowed 'General case' 0 C--N 1.363 1.158 0 C-N-CA 127.855 2.462 . . . . 0.0 111.266 -172.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.21 22.57 12.19 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 126.152 1.781 . . . . 0.0 111.381 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -96.7 48.37 1.07 Allowed 'General case' 0 C--N 1.355 0.83 0 C-N-CA 128.523 2.729 . . . . 0.0 111.095 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -166.49 171.66 11.62 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 -175.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.8 mt -125.43 54.16 1.49 Allowed 'General case' 0 C--N 1.36 1.028 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 174.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -165.46 173.8 10.65 Favored 'General case' 0 C--N 1.352 0.711 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 -174.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.6 t -126.81 142.17 42.62 Favored Pre-proline 0 C--N 1.363 1.174 0 N-CA-C 104.517 -2.401 . . . . 0.0 104.517 172.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -79.11 142.11 16.89 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.742 2.295 . . . . 0.0 108.074 162.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.0 tp -132.95 146.21 32.96 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.794 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 136' ' ' LYS . . . 174.12 179.67 44.89 Favored Glycine 0 CA--C 1.482 -2.023 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -132.82 154.16 50.58 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-O 123.696 1.712 . . . . 0.0 109.341 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.481 HD21 ' HE ' ' A' ' 132' ' ' ARG . 1.3 t-20 -127.58 118.89 24.79 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 103.258 -2.867 . . . . 0.0 103.258 173.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.416 HG12 ' HA ' ' A' ' 72' ' ' VAL . 28.4 mt -133.53 145.7 33.22 Favored 'Isoleucine or valine' 0 C--N 1.348 0.539 0 O-C-N 120.971 -1.081 . . . . 0.0 110.463 -170.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.76 129.36 50.31 Favored 'General case' 0 C--N 1.373 1.6 0 N-CA-C 104.584 -2.376 . . . . 0.0 104.584 171.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.1 m -140.84 145.37 39.41 Favored Pre-proline 0 C--N 1.352 0.679 0 N-CA-C 104.435 -2.432 . . . . 0.0 104.435 172.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -73.6 140.14 29.24 Favored 'Trans proline' 0 C--N 1.363 1.32 0 C-N-CA 124.915 3.743 . . . . 0.0 112.04 176.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.381 1.5 t80 31.69 -1.78 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.061 2 C-N-CA 136.032 5.733 . . . . 0.0 123.523 -177.16 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -103.45 106.52 17.05 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 129.412 3.085 . . . . 0.0 111.615 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -87.81 48.2 1.61 Allowed 'General case' 0 C--N 1.36 1.05 0 C-N-CA 127.358 2.263 . . . . 0.0 111.386 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.405 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 85.8 mmt-85 -102.09 -49.46 3.92 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 128.863 2.865 . . . . 0.0 112.916 -173.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.497 HD12 HG22 ' A' ' 133' ' ' ILE . 0.8 OUTLIER 8.7 -82.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.377 1.799 1 C-N-CA 132.312 4.245 . . . . 0.0 120.856 167.998 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.407 ' H ' HG13 ' A' ' 102' ' ' ILE . 56.1 t0 -122.94 111.61 16.83 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 127.339 2.256 . . . . 0.0 105.858 170.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -175.27 43.4 0.01 OUTLIER 'General case' 0 C--N 1.365 1.24 0 C-N-CA 126.518 1.927 . . . . 0.0 107.698 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 90.2 mttt 81.55 56.61 0.02 OUTLIER 'General case' 0 C--N 1.372 1.555 0 C-N-CA 128.496 2.719 . . . . 0.0 108.395 -170.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -127.09 158.51 36.82 Favored 'General case' 0 C--N 1.364 1.232 0 CA-C-O 124.527 2.108 . . . . 0.0 111.031 -171.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -123.9 129.98 51.85 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 101.555 -3.498 . . . . 0.0 101.555 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.5 p -131.32 143.71 39.82 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 CA-C-O 122.599 1.19 . . . . 0.0 109.357 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.05 105.65 19.02 Favored 'Isoleucine or valine' 0 C--N 1.369 1.432 0 N-CA-C 101.118 -3.66 . . . . 0.0 101.118 166.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -99.55 90.45 4.51 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 128.582 2.753 . . . . 0.0 105.947 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 60.51 33.08 20.58 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.84 8.47 61.92 Favored Glycine 0 C--N 1.364 2.119 0 C-N-CA 126.042 1.782 . . . . 0.0 115.535 -174.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -108.19 120.05 41.25 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 125.83 1.652 . . . . 0.0 109.431 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 6.4 pt -97.55 113.81 33.03 Favored 'Isoleucine or valine' 0 C--N 1.365 1.267 0 C-N-CA 125.624 1.57 . . . . 0.0 114.217 -176.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 26.7 m -131.18 149.5 33.43 Favored 'Isoleucine or valine' 0 C--N 1.367 1.351 0 C-N-CA 126.044 1.738 . . . . 0.0 110.095 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.9 t -121.68 139.91 52.96 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 127.297 2.239 . . . . 0.0 106.95 177.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.5 153.53 11.18 Favored 'General case' 0 C--N 1.362 1.128 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -173.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.2 mt -114.49 121.43 66.58 Favored 'Isoleucine or valine' 0 C--N 1.377 1.762 0 C-N-CA 125.803 1.641 . . . . 0.0 106.691 174.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -136.88 178.74 18.66 Favored Glycine 0 C--N 1.363 2.081 0 O-C-N 120.617 -1.302 . . . . 0.0 112.228 -176.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -123.91 97.21 41.47 Favored Pre-proline 0 C--N 1.361 1.068 0 C-N-CA 125.818 1.647 . . . . 0.0 108.339 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -88.05 155.68 7.09 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 124.271 3.314 . . . . 0.0 112.927 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 17.4 t -127.7 129.61 70.14 Favored 'Isoleucine or valine' 0 C--N 1.361 1.069 0 C-N-CA 126.286 1.835 . . . . 0.0 111.049 -176.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -101.68 134.55 44.65 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 127.643 2.377 . . . . 0.0 108.896 172.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.52 -28.49 17.55 Favored 'General case' 0 C--N 1.361 1.083 0 O-C-N 120.675 -1.266 . . . . 0.0 112.617 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 94.2 p 64.43 36.49 8.86 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 120.255 3.428 . . . . 0.0 120.255 172.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -177.16 -95.68 0.1 OUTLIER Glycine 0 CA--C 1.484 -1.876 0 O-C-N 118.519 -2.613 . . . . 0.0 112.608 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 71.1 mt -83.74 59.6 5.27 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.542 1.537 . . . . 0.0 112.162 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.5 ' HG2' ' H ' ' A' ' 130' ' ' ILE . 24.3 tt0 144.55 125.78 0.0 OUTLIER 'General case' 0 C--N 1.358 0.969 0 C-N-CA 131.277 3.831 . . . . 0.0 106.273 -176.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -106.58 29.44 6.92 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 124.912 1.285 . . . . 0.0 112.436 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.5 ' H ' ' HG2' ' A' ' 128' ' ' GLN . 88.7 mt -101.31 127.18 54.85 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 120.565 -1.335 . . . . 0.0 108.935 176.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.32 121.56 41.25 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 127.874 2.47 . . . . 0.0 106.771 174.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.481 ' HE ' HD21 ' A' ' 93' ' ' ASN . 81.6 ttt180 -124.38 138.62 54.35 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 125.504 1.522 . . . . 0.0 111.248 -173.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.497 HG22 HD12 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -114.19 133.38 60.41 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 169.433 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -128.13 107.84 10.14 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 101.125 -3.657 . . . . 0.0 101.125 172.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -147.2 161.29 28.45 Favored Glycine 0 C--N 1.361 1.924 0 CA-C-O 121.639 0.577 . . . . 0.0 112.337 -173.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.464 ' HA ' ' HA3' ' A' ' 91' ' ' GLY . 61.2 pttt -154.28 157.17 38.29 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 124.18 0.992 . . . . 0.0 109.298 175.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -129.07 142.08 51.01 Favored 'General case' 0 C--N 1.351 0.65 0 C-N-CA 127.719 2.408 . . . . 0.0 107.952 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -153.78 163.47 39.97 Favored 'General case' 0 C--N 1.355 0.805 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 177.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -108.85 41.75 2.14 Favored Glycine 0 C--N 1.362 2.026 0 C-N-CA 125.096 1.331 . . . . 0.0 112.996 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -118.81 33.02 5.83 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 125.15 1.38 . . . . 0.0 111.9 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -126.03 44.81 2.76 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 123.65 1.69 . . . . 0.0 106.613 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 27.2 m -101.6 18.39 3.53 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 C-N-CA 127.288 2.235 . . . . 0.0 112.647 -176.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.494 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 178.364 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.437 -1.104 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -80.79 62.06 4.68 Favored 'General case' 0 C--N 1.36 1.022 0 C-N-CA 126.747 2.019 . . . . 0.0 114.699 -177.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -102.63 87.59 3.02 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 126.755 2.022 . . . . 0.0 106.846 175.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -81.01 13.77 2.57 Favored 'General case' 0 C--N 1.36 1.063 0 N-CA-C 117.209 2.299 . . . . 0.0 117.209 -173.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.463 ' CZ ' ' CD2' ' A' ' 71' ' ' HIS . 20.7 t80 -165.03 172.98 12.03 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 104.098 -2.556 . . . . 0.0 104.098 176.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -78.02 -21.59 50.55 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 128.714 2.806 . . . . 0.0 114.698 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.409 ' HB2' HH21 ' A' ' 111' ' ' ARG . 2.5 t70 -122.87 143.57 49.78 Favored 'General case' 0 C--N 1.367 1.338 0 O-C-N 120.16 -1.588 . . . . 0.0 112.06 177.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.0 t -97.86 116.17 39.76 Favored 'Isoleucine or valine' 0 C--N 1.37 1.468 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 176.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.0 mm -101.59 153.07 5.12 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 C-N-CA 127.279 2.231 . . . . 0.0 110.916 -170.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.0 m -113.65 114.91 27.07 Favored 'General case' 0 C--N 1.375 1.676 0 O-C-N 121.236 -0.915 . . . . 0.0 108.732 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.458 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 97.6 m-85 -105.74 123.62 48.23 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 123.742 0.817 . . . . 0.0 110.118 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -131.01 146.36 52.36 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 126.022 1.729 . . . . 0.0 109.746 -176.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.4 p -117.43 168.77 10.07 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 125.943 1.697 . . . . 0.0 112.044 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -118.96 123.54 44.82 Favored 'General case' 0 C--N 1.359 0.979 0 N-CA-C 104.417 -2.438 . . . . 0.0 104.417 173.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.3 t -110.1 135.13 50.06 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 C-N-CA 125.695 1.598 . . . . 0.0 108.768 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -111.92 144.89 40.5 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.296 1.838 . . . . 0.0 111.475 -178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -100.59 15.5 27.87 Favored 'General case' 0 C--N 1.378 1.812 0 C-N-CA 125.914 1.686 . . . . 0.0 110.832 173.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . 0.345 86.0 p 107.06 -146.2 0.0 OUTLIER 'General case' 0 C--N 1.353 0.74 1 C-N-CA 131.777 4.031 . . . . 0.0 111.3 179.186 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.97 51.4 1.61 Allowed 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.157 1.383 . . . . 0.0 108.404 -179.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.75 -152.88 19.76 Favored Glycine 0 C--N 1.359 1.824 0 O-C-N 121.457 -0.777 . . . . 0.0 111.418 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 60.48 -65.06 0.06 Allowed 'General case' 0 C--N 1.36 1.058 0 C-N-CA 129.37 3.068 . . . . 0.0 118.602 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -153.32 21.97 0.75 Allowed Glycine 0 C--N 1.351 1.403 0 N-CA-C 109.937 -1.265 . . . . 0.0 109.937 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.05 99.59 0.18 Allowed Glycine 0 C--N 1.353 1.509 0 CA-C-O 122.376 0.987 . . . . 0.0 112.389 -178.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -129.92 64.89 1.51 Allowed 'General case' 0 C--N 1.351 0.638 0 N-CA-C 105.456 -2.054 . . . . 0.0 105.456 176.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 66.4 m -154.85 137.56 15.25 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 104.327 -2.472 . . . . 0.0 104.327 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -134.26 149.67 50.95 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 -174.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.6 143.73 30.05 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-O 121.984 0.897 . . . . 0.0 112.88 -175.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 83.8 m95 -103.21 122.03 43.91 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 129.083 2.953 . . . . 0.0 107.632 177.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.9 p -138.93 168.38 19.22 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 C-N-CA 125.335 1.454 . . . . 0.0 108.934 -173.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -89.56 146.09 24.82 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 126.004 1.722 . . . . 0.0 108.451 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -97.21 -56.56 2.5 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 124.564 1.146 . . . . 0.0 108.554 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.458 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 9.6 p90 -164.89 173.9 11.16 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 178.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.2 p -134.17 132.25 39.58 Favored 'General case' 0 C--N 1.35 0.588 0 N-CA-C 102.478 -3.156 . . . . 0.0 102.478 174.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.46 164.24 37.64 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -176.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.61 115.15 21.45 Favored 'General case' 0 C--N 1.366 1.299 0 O-C-N 120.28 -1.512 . . . . 0.0 107.782 173.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.71 145.15 4.42 Favored 'General case' 0 CA--C 1.497 -1.067 0 C-N-CA 119.169 -1.012 . . . . 0.0 108.309 -164.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.463 ' CD2' ' CZ ' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -111.26 112.16 23.74 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 120.613 1.551 . . . . 0.0 108.792 172.416 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.8 t -95.74 127.19 47.99 Favored 'Isoleucine or valine' 0 C--N 1.375 1.714 1 N-CA-C 98.893 -4.484 . . . . 0.0 98.893 169.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -132.73 128.4 20.84 Favored Pre-proline 0 C--N 1.353 0.758 0 CA-C-O 115.583 -2.151 . . . . 0.0 109.818 -173.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -71.47 140.06 35.74 Favored 'Trans proline' 0 C--N 1.363 1.331 0 C-N-CA 125.201 3.934 . . . . 0.0 112.845 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.438 10.9 tt 56.44 -48.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.2 0 C-N-CA 129.569 3.147 . . . . 0.0 118.223 178.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.3 t 75.02 26.09 1.29 Allowed 'General case' 0 C--N 1.373 1.624 0 C-N-CA 128.136 2.575 . . . . 0.0 113.167 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -75.65 78.9 2.63 Favored 'General case' 0 C--N 1.354 0.787 0 C-N-CA 128.231 2.612 . . . . 0.0 117.875 -172.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -100.25 -59.87 1.63 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 170.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -153.02 65.87 0.78 Allowed 'General case' 0 C--N 1.352 0.707 0 N-CA-C 103.442 -2.799 . . . . 0.0 103.442 175.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -96.78 -68.05 0.82 Allowed 'General case' 0 C--N 1.36 1.036 0 O-C-N 120.836 -1.165 . . . . 0.0 111.106 -176.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -147.22 172.56 13.63 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 103.801 -2.666 . . . . 0.0 103.801 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -87.15 66.39 9.27 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 126.719 2.008 . . . . 0.0 108.725 172.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.94 13.27 27.46 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 129.278 3.031 . . . . 0.0 113.06 -174.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -62.91 69.34 0.02 OUTLIER 'General case' 0 C--N 1.358 0.95 0 C-N-CA 129.558 3.143 . . . . 0.0 116.797 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 89.18 29.84 0.02 OUTLIER 'General case' 0 C--N 1.363 1.194 0 C-N-CA 130.112 3.365 . . . . 0.0 110.342 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.9 tp -79.91 -26.77 40.07 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 127.051 2.14 . . . . 0.0 113.908 -177.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -154.19 -172.45 4.22 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.9 m -94.92 109.86 46.53 Favored Pre-proline 0 C--N 1.355 0.836 0 C-N-CA 129.143 2.977 . . . . 0.0 105.271 169.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -70.88 128.6 15.21 Favored 'Trans proline' 0 CA--C 1.542 0.882 0 CA-C-N 125.355 2.948 . . . . 0.0 115.95 -173.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 9.1 tp -146.38 39.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 103.309 -2.848 . . . . 0.0 103.309 173.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -122.89 141.19 13.73 Favored Glycine 0 C--N 1.36 1.906 0 CA-C-O 123.084 1.38 . . . . 0.0 111.191 -174.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -127.74 142.66 51.26 Favored 'General case' 0 CA--C 1.493 -1.22 0 C-N-CA 125.125 1.37 . . . . 0.0 109.189 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -138.1 123.89 19.93 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 103.524 -2.769 . . . . 0.0 103.524 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.25 148.38 30.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 C-N-CA 125.634 1.574 . . . . 0.0 113.483 -165.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.82 113.82 21.18 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 103.552 -2.759 . . . . 0.0 103.552 169.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 41.6 m -140.49 148.95 55.64 Favored Pre-proline 0 C--N 1.361 1.085 0 O-C-N 118.816 -2.427 . . . . 0.0 109.369 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -70.54 133.37 23.98 Favored 'Trans proline' 0 C--N 1.371 1.74 0 C-N-CA 124.794 3.663 . . . . 0.0 111.676 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.27 2.7 t80 10.45 18.08 0.0 OUTLIER 'General case' 0 C--N 1.366 1.296 2 C-N-CA 137.324 6.25 . . . . 0.0 122.961 -176.09 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -95.47 137.7 34.17 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 128.585 2.754 . . . . 0.0 110.363 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -119.26 23.75 11.12 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 127.201 2.2 . . . . 0.0 111.495 -175.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -99.24 -43.91 6.44 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -175.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.827 ' H ' HD12 ' A' ' 102' ' ' ILE . 2.2 mp -12.51 -70.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.381 1.977 1 C-N-CA 136.058 5.743 . . . . 0.0 116.301 -179.483 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . 0.304 52.8 p30 -133.21 113.53 12.77 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 122.024 0.916 . . . . 0.0 108.851 167.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -169.04 43.57 0.03 OUTLIER 'General case' 0 C--N 1.355 0.839 0 N-CA-C 103.237 -2.875 . . . . 0.0 103.237 177.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? 84.1 82.81 0.03 OUTLIER 'General case' 0 C--N 1.371 1.543 0 C-N-CA 128.928 2.891 . . . . 0.0 109.663 -174.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 39.0 tpp -158.44 165.96 33.37 Favored 'General case' 0 C--N 1.36 1.057 0 O-C-N 120.825 -1.172 . . . . 0.0 108.262 -169.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -118.04 148.25 42.44 Favored 'General case' 0 C--N 1.366 1.32 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 167.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.5 p -138.94 150.13 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.1 tt -120.94 106.51 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.073 1 N-CA-C 100.152 -4.018 . . . . 0.0 100.152 164.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . 0.426 11.2 p90 -108.04 101.43 10.67 Favored 'General case' 0 C--N 1.373 1.627 0 C-N-CA 124.565 1.146 . . . . 0.0 110.829 178.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.409 HH21 ' HB2' ' A' ' 41' ' ' ASP . 27.7 ttm180 60.51 32.1 20.41 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 126.25 1.82 . . . . 0.0 114.698 -176.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.13 12.97 58.21 Favored Glycine 0 C--N 1.363 2.082 0 C-N-CA 125.547 1.546 . . . . 0.0 116.806 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -107.76 109.5 21.09 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 119.7 1.75 . . . . 0.0 109.361 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.8 mp -90.79 109.03 20.43 Favored 'Isoleucine or valine' 0 C--N 1.37 1.477 0 C-N-CA 125.394 1.478 . . . . 0.0 110.705 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.41 149.97 33.73 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 C-N-CA 125.33 1.452 . . . . 0.0 109.736 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -113.68 131.45 56.15 Favored 'General case' 0 C--N 1.363 1.186 0 N-CA-C 103.14 -2.911 . . . . 0.0 103.14 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -156.59 166.16 34.19 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -170.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 22.7 pt -133.06 162.8 39.4 Favored 'Isoleucine or valine' 0 C--N 1.365 1.255 0 C-N-CA 126.315 1.846 . . . . 0.0 109.101 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 179.36 -166.97 36.71 Favored Glycine 0 C--N 1.363 2.045 0 O-C-N 121.662 -0.649 . . . . 0.0 113.416 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -146.55 138.09 13.17 Favored Pre-proline 0 C--N 1.369 1.446 0 C-N-CA 126.276 1.83 . . . . 0.0 112.144 178.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -103.57 144.56 0.16 Allowed 'Trans proline' 0 C--N 1.369 1.619 0 C-N-CA 124.781 3.654 . . . . 0.0 114.289 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 97.7 t -132.84 139.06 50.53 Favored 'Isoleucine or valine' 0 C--N 1.364 1.223 0 N-CA-C 105.834 -1.914 . . . . 0.0 105.834 174.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -94.41 98.97 11.25 Favored 'General case' 0 C--N 1.368 1.373 0 O-C-N 120.073 -1.642 . . . . 0.0 110.536 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.87 -27.81 16.2 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 126.57 1.948 . . . . 0.0 115.237 -176.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 36.9 m -106.95 122.19 45.94 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 119.452 -2.03 . . . . 0.0 112.598 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -116.26 1.44 20.76 Favored Glycine 0 C--N 1.365 2.165 0 C-N-CA 126.613 2.054 . . . . 0.0 112.189 172.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.24 -19.73 29.52 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 127.822 2.449 . . . . 0.0 111.769 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -164.32 153.81 13.88 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 100.553 -3.869 . . . . 0.0 100.553 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -78.94 59.71 2.7 Favored 'General case' 0 C--N 1.352 0.674 0 C-N-CA 126.73 2.012 . . . . 0.0 115.686 -171.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 47.6 mm -106.0 131.82 54.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 O-C-N 121.099 -1.001 . . . . 0.0 111.052 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.9 m -114.23 140.67 48.38 Favored 'General case' 0 C--N 1.364 1.205 0 CA-C-O 124.405 2.05 . . . . 0.0 107.565 171.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -101.43 120.19 39.91 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 129.862 3.265 . . . . 0.0 108.752 -176.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.4 mm -116.08 126.94 73.79 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 N-CA-C 105.709 -1.96 . . . . 0.0 105.709 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -127.64 117.16 21.48 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 128.256 2.622 . . . . 0.0 107.1 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.66 124.39 1.99 Allowed Glycine 0 CA--C 1.478 -2.234 0 O-C-N 120.81 -1.181 . . . . 0.0 110.683 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -158.06 158.59 35.07 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 106.063 -1.829 . . . . 0.0 106.063 -178.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -123.28 109.72 14.29 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 106.757 -1.572 . . . . 0.0 106.757 177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -157.36 37.32 0.28 Allowed 'General case' 0 C--N 1.356 0.878 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 169.85 -175.96 43.81 Favored Glycine 0 C--N 1.351 1.393 0 N-CA-C 104.452 -3.459 . . . . 0.0 104.452 -174.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -156.82 -171.7 3.76 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.432 1.093 . . . . 0.0 108.071 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -149.2 -57.86 0.21 Allowed 'General case' 0 C--N 1.357 0.916 0 CA-C-O 121.781 0.801 . . . . 0.0 108.961 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 6.1 p -133.68 124.95 48.82 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 N-CA-C 105.912 -1.884 . . . . 0.0 105.912 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.507 0 N-CA-C 108.126 -1.99 . . . . 0.0 108.126 -177.196 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.441 -0.915 0 CA-C-O 121.483 0.658 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -133.92 62.67 1.65 Allowed 'General case' 0 C--N 1.354 0.802 0 C-N-CA 125.551 1.54 . . . . 0.0 108.31 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -126.42 121.45 32.5 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 125.172 1.389 . . . . 0.0 107.663 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -151.52 147.23 26.58 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 120.611 -1.305 . . . . 0.0 107.783 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -136.82 109.21 7.34 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 177.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.78 50.14 2.18 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 125.159 1.383 . . . . 0.0 107.614 -178.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -94.74 159.86 14.87 Favored 'General case' 0 C--N 1.364 1.216 0 C-N-CA 125.036 1.334 . . . . 0.0 108.667 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -95.86 116.63 38.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.977 0 CA-C-O 124.3 2.0 . . . . 0.0 110.655 -172.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 110' ' ' TYR . 41.4 mm -103.42 158.06 5.02 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 C-N-CA 129.001 2.92 . . . . 0.0 110.845 -171.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.1 m -121.01 114.77 21.99 Favored 'General case' 0 C--N 1.373 1.593 0 O-C-N 120.469 -1.394 . . . . 0.0 108.667 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CG ' ' CZ ' ' A' ' 66' ' ' PHE . 42.3 m-85 -103.02 132.55 49.21 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 125.463 1.505 . . . . 0.0 110.501 -177.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -129.9 148.55 51.78 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 125.568 1.547 . . . . 0.0 114.704 -172.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.9 p -123.76 156.05 36.75 Favored 'General case' 0 C--N 1.369 1.428 0 C-N-CA 127.791 2.436 . . . . 0.0 114.911 -176.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -117.89 129.64 55.76 Favored 'General case' 0 C--N 1.363 1.19 0 C-N-CA 126.844 2.058 . . . . 0.0 109.602 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.6 p -129.18 150.09 34.29 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 O-C-N 119.867 -1.771 . . . . 0.0 109.234 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.497 ' HG3' ' H ' ' A' ' 51' ' ' GLN . 7.6 pt-20 -126.82 -89.06 0.56 Allowed 'General case' 0 C--N 1.362 1.126 0 C-N-CA 126.948 2.099 . . . . 0.0 109.182 178.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.497 ' H ' ' HG3' ' A' ' 50' ' ' GLU 0.262 66.6 mt-30 64.83 -53.83 0.3 Allowed 'General case' 0 CA--C 1.566 1.59 0 N-CA-C 119.481 3.141 . . . . 0.0 119.481 176.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . 0.276 83.2 p 100.95 -16.15 0.03 OUTLIER 'General case' 0 C--N 1.37 1.49 0 C-N-CA 131.269 3.828 . . . . 0.0 112.167 -177.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 61.33 28.32 17.81 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 130.47 3.508 . . . . 0.0 115.289 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 106.17 31.71 4.0 Favored Glycine 0 C--N 1.363 2.044 0 C-N-CA 126.743 2.116 . . . . 0.0 113.362 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 76.24 26.91 0.91 Allowed 'General case' 0 C--N 1.37 1.47 0 C-N-CA 127.908 2.483 . . . . 0.0 114.121 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.87 -36.72 2.14 Favored Glycine 0 C--N 1.363 2.034 0 C-N-CA 124.545 1.069 . . . . 0.0 115.367 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -133.27 75.4 0.42 Allowed Glycine 0 C--N 1.352 1.444 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -80.04 71.88 6.79 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 126.489 1.916 . . . . 0.0 112.981 -178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.6 t -154.23 -168.4 2.93 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 126.866 2.066 . . . . 0.0 105.925 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -127.24 152.24 47.66 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 126.17 1.788 . . . . 0.0 110.624 -177.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -139.84 149.26 43.24 Favored 'General case' 0 C--N 1.36 1.051 0 C-N-CA 125.46 1.504 . . . . 0.0 110.153 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 49.0 m95 -114.28 127.16 55.73 Favored 'General case' 0 N--CA 1.438 -1.054 0 C-N-CA 128.367 2.667 . . . . 0.0 105.903 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.34 160.64 28.46 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -83.35 146.76 28.31 Favored 'General case' 0 C--N 1.364 1.224 0 C-N-CA 125.648 1.579 . . . . 0.0 111.342 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -97.39 -59.23 1.82 Allowed 'General case' 0 C--N 1.361 1.096 0 C-N-CA 125.394 1.478 . . . . 0.0 111.613 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.404 ' CZ ' ' CG ' ' A' ' 45' ' ' PHE . 12.6 p90 -162.54 173.58 13.8 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 105.573 -2.01 . . . . 0.0 105.573 -178.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.9 t -137.08 133.41 35.37 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 103.564 -2.754 . . . . 0.0 103.564 174.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -151.37 157.95 43.12 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.0 -1.062 . . . . 0.0 112.819 -178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.51 114.28 20.81 Favored 'General case' 0 C--N 1.369 1.423 0 O-C-N 120.271 -1.518 . . . . 0.0 109.263 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.74 170.33 10.97 Favored 'General case' 0 CA--C 1.496 -1.115 0 O-C-N 120.944 -1.097 . . . . 0.0 109.345 -164.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -122.87 108.87 13.47 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 174.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.596 HG12 ' HE2' ' A' ' 92' ' ' TYR . 12.4 t -110.77 96.05 4.36 Favored 'Isoleucine or valine' 0 C--N 1.371 1.503 0 N-CA-C 101.359 -3.571 . . . . 0.0 101.359 -177.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -112.76 139.5 22.89 Favored Pre-proline 0 C--N 1.357 0.919 0 O-C-N 119.008 -2.307 . . . . 0.0 116.525 -163.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -71.35 146.88 51.64 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 123.091 2.527 . . . . 0.0 113.624 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.328 69.6 mt 74.66 123.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 130.115 3.366 . . . . 0.0 116.939 171.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.12 57.7 3.66 Favored 'General case' 0 C--N 1.362 1.119 0 C-N-CA 131.094 3.757 . . . . 0.0 112.337 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -101.49 -60.04 1.6 Allowed 'General case' 0 C--N 1.36 1.049 0 C-N-CA 126.767 2.027 . . . . 0.0 110.245 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -77.23 -32.9 56.11 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 127.259 2.224 . . . . 0.0 114.902 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -107.75 106.74 17.19 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 125.853 1.661 . . . . 0.0 107.532 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 14.5 m-30 -82.41 -44.3 16.25 Favored 'General case' 0 C--N 1.366 1.299 0 C-N-CA 124.935 1.294 . . . . 0.0 113.922 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.2 t80 73.85 -83.86 0.03 OUTLIER 'General case' 0 C--N 1.364 1.209 0 C-N-CA 127.516 2.326 . . . . 0.0 112.466 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -167.11 156.05 10.21 Favored 'General case' 0 N--CA 1.437 -1.111 0 N-CA-C 100.721 -3.807 . . . . 0.0 100.721 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.29 0.47 37.32 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 64.35 -81.36 0.03 OUTLIER 'General case' 0 C--N 1.364 1.209 0 C-N-CA 128.592 2.757 . . . . 0.0 115.25 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.72 -62.25 0.1 Allowed 'General case' 0 C--N 1.348 0.501 0 C-N-CA 125.901 1.68 . . . . 0.0 107.065 176.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 mp -136.59 78.92 1.73 Allowed 'General case' 0 C--N 1.352 0.693 0 C-N-CA 125.936 1.694 . . . . 0.0 106.52 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -104.2 129.99 51.96 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.349 1.46 . . . . 0.0 111.763 -177.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.0 p -81.96 130.3 61.05 Favored Pre-proline 0 C--N 1.353 0.73 0 C-N-CA 128.338 2.655 . . . . 0.0 114.502 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -76.88 134.62 14.94 Favored 'Trans proline' 0 CA--C 1.548 1.209 0 C-N-CA 124.24 3.293 . . . . 0.0 111.465 171.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . 0.389 0.2 OUTLIER 132.29 104.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.027 1 C-N-CA 131.791 4.036 . . . . 0.0 109.481 -179.482 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -179.05 -168.33 37.98 Favored Glycine 0 C--N 1.365 2.149 0 O-C-N 119.986 -1.696 . . . . 0.0 114.262 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.596 ' HE2' HG12 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -111.56 132.34 54.61 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 126.55 1.94 . . . . 0.0 107.277 174.652 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.93 124.67 33.67 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 125.436 1.494 . . . . 0.0 109.371 178.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.566 HG12 HG13 ' A' ' 72' ' ' VAL . 4.1 mp -120.67 143.36 32.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 C-N-CA 125.2 1.4 . . . . 0.0 113.085 -171.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.251 0.0 OUTLIER -122.07 113.86 20.13 Favored 'General case' 0 C--N 1.366 1.305 0 N-CA-C 102.81 -3.033 . . . . 0.0 102.81 166.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 10.0 t -140.48 158.97 64.96 Favored Pre-proline 0 C--N 1.366 1.294 0 O-C-N 120.881 -1.137 . . . . 0.0 110.154 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -68.13 148.32 74.91 Favored 'Trans proline' 0 CA--C 1.557 1.641 0 C-N-CA 124.093 3.195 . . . . 0.0 111.781 163.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.253 2.4 t80 -8.48 27.88 0.0 OUTLIER 'General case' 0 C--N 1.365 1.256 2 C-N-CA 137.096 6.158 . . . . 0.0 124.535 -177.305 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -103.12 138.01 40.52 Favored 'General case' 0 C--N 1.346 0.425 0 O-C-N 119.675 -1.89 . . . . 0.0 109.749 175.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -114.52 24.93 11.43 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 120.446 -1.409 . . . . 0.0 111.875 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -102.12 -39.88 7.07 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 116.862 2.171 . . . . 0.0 116.862 -173.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.911 ' H ' HD12 ' A' ' 102' ' ' ILE . 2.7 mp -13.13 -68.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.375 1.691 1 C-N-CA 135.462 5.505 . . . . 0.0 119.207 -179.313 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.93 110.92 15.42 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 103.826 -2.657 . . . . 0.0 103.826 171.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -174.14 39.96 0.01 OUTLIER 'General case' 0 C--N 1.352 0.691 0 N-CA-C 105.68 -1.97 . . . . 0.0 105.68 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 87.0 tttt 84.46 73.92 0.02 OUTLIER 'General case' 0 C--N 1.369 1.45 0 C-N-CA 129.35 3.06 . . . . 0.0 107.5 -171.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.9 mmt -151.25 179.05 8.64 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 123.116 1.436 . . . . 0.0 109.754 -169.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 -137.23 134.84 36.67 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 128.198 2.599 . . . . 0.0 104.65 174.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.584 HG11 HG11 ' A' ' 72' ' ' VAL . 60.7 t -128.39 141.2 47.16 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.784 0 O-C-N 119.68 -1.887 . . . . 0.0 106.364 177.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 4.5 mp -102.47 105.94 19.01 Favored 'Isoleucine or valine' 0 C--N 1.37 1.477 0 N-CA-C 100.838 -3.764 . . . . 0.0 100.838 170.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.468 ' HA ' HD12 ' A' ' 43' ' ' ILE . 21.0 t80 -102.38 91.58 4.32 Favored 'General case' 0 N--CA 1.437 -1.081 0 C-N-CA 129.94 3.296 . . . . 0.0 107.41 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 58.19 32.94 22.65 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 127.673 2.389 . . . . 0.0 116.293 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.08 3.79 65.27 Favored Glycine 0 C--N 1.363 2.033 0 C-N-CA 125.995 1.76 . . . . 0.0 116.219 -173.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -105.57 129.19 53.88 Favored 'General case' 0 C--N 1.361 1.088 0 CA-C-N 119.629 1.715 . . . . 0.0 107.407 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 14.8 tt -114.17 118.77 59.41 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 CA-C-O 122.127 0.965 . . . . 0.0 111.712 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 22.1 t -130.98 143.55 40.51 Favored 'Isoleucine or valine' 0 C--N 1.367 1.369 0 C-N-CA 125.53 1.532 . . . . 0.0 109.041 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 32.7 m -109.23 134.57 51.6 Favored 'General case' 0 C--N 1.378 1.818 0 C-N-CA 128.708 2.803 . . . . 0.0 107.668 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -167.14 172.6 9.85 Favored 'General case' 0 C--N 1.362 1.131 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -170.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 7.8 tp -124.92 156.72 33.61 Favored 'Isoleucine or valine' 0 C--N 1.366 1.302 0 C-N-CA 127.666 2.386 . . . . 0.0 110.186 176.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.437 ' HA2' ' HA2' ' A' ' 135' ' ' GLY . . . -170.15 -168.03 31.42 Favored Glycine 0 C--N 1.366 2.217 0 O-C-N 120.819 -1.176 . . . . 0.0 113.495 176.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -141.16 131.23 13.07 Favored Pre-proline 0 C--N 1.371 1.505 0 C-N-CA 127.803 2.441 . . . . 0.0 110.606 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -103.12 143.34 0.16 Allowed 'Trans proline' 0 C--N 1.37 1.665 0 C-N-CA 124.545 3.496 . . . . 0.0 114.704 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.35 139.65 49.56 Favored 'Isoleucine or valine' 0 C--N 1.367 1.366 0 C-N-CA 125.169 1.388 . . . . 0.0 108.461 172.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -101.89 144.34 30.65 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 119.388 -2.07 . . . . 0.0 113.415 -179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.3 mp -93.71 -21.48 19.32 Favored 'General case' 0 C--N 1.367 1.349 0 O-C-N 121.229 -0.919 . . . . 0.0 109.182 171.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . 0.39 82.5 p 80.06 -58.75 0.34 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 118.641 2.83 . . . . 0.0 118.641 172.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -97.22 -166.68 32.71 Favored Glycine 0 C--N 1.36 1.861 0 N-CA-C 116.942 1.537 . . . . 0.0 116.942 -172.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 86.8 mt 59.11 -67.05 0.03 OUTLIER 'General case' 0 C--N 1.363 1.167 0 C-N-CA 130.638 3.575 . . . . 0.0 117.444 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -111.34 -16.28 13.4 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 125.793 1.637 . . . . 0.0 110.228 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 75.93 64.96 0.06 Allowed 'General case' 0 C--N 1.375 1.687 0 C-N-CA 128.2 2.6 . . . . 0.0 108.745 -176.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 13.7 pt -116.92 137.13 51.81 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 CA-C-O 122.742 1.258 . . . . 0.0 113.977 -170.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 26.8 m -115.23 141.02 48.59 Favored 'General case' 0 C--N 1.368 1.394 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 175.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -120.49 137.18 54.5 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-O 124.425 2.06 . . . . 0.0 106.744 176.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.3 mp -126.14 136.26 61.35 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.845 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 -175.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -128.33 129.45 46.31 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 172.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.437 ' HA2' ' HA2' ' A' ' 119' ' ' GLY . . . -128.83 161.38 22.44 Favored Glycine 0 CA--C 1.481 -2.044 0 N-CA-C 107.335 -2.306 . . . . 0.0 107.335 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -158.42 165.96 33.38 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-N 118.626 1.213 . . . . 0.0 110.873 -177.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -120.35 132.77 55.42 Favored 'General case' 0 C--N 1.359 1.007 0 C-N-CA 124.018 0.927 . . . . 0.0 109.887 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -151.38 175.51 12.18 Favored 'General case' 0 C--N 1.352 0.689 0 N-CA-C 105.745 -1.946 . . . . 0.0 105.745 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -95.34 146.71 18.33 Favored Glycine 0 C--N 1.361 1.93 0 C-N-CA 125.108 1.337 . . . . 0.0 113.559 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -164.19 176.99 8.71 Favored 'General case' 0 C--N 1.354 0.769 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -153.82 171.68 18.55 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 105.176 -2.157 . . . . 0.0 105.176 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 13.7 p -99.11 53.48 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.962 0 C-N-CA 126.597 1.959 . . . . 0.0 111.228 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.463 0 N-CA-C 108.556 -1.817 . . . . 0.0 108.556 179.875 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.442 -0.832 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.3 t80 72.95 -54.25 0.7 Allowed 'General case' 0 C--N 1.36 1.031 0 C-N-CA 128.841 2.856 . . . . 0.0 115.053 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -97.38 149.82 21.69 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 126.666 1.986 . . . . 0.0 112.369 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -114.84 145.61 41.96 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 125.244 1.418 . . . . 0.0 108.79 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -106.1 -56.25 2.21 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 125.013 1.325 . . . . 0.0 112.321 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.0 tpp180 -173.51 -95.88 0.01 OUTLIER 'General case' 0 C--N 1.357 0.926 0 C-N-CA 125.454 1.502 . . . . 0.0 109.572 -175.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -150.76 171.36 17.31 Favored 'General case' 0 C--N 1.36 1.06 0 O-C-N 120.034 -1.666 . . . . 0.0 114.464 -172.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.5 t -105.38 115.59 47.49 Favored 'Isoleucine or valine' 0 C--N 1.372 1.566 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 172.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -113.14 161.77 11.82 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 C-N-CA 125.66 1.584 . . . . 0.0 113.82 -167.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 m -105.6 113.42 26.97 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 127.623 2.369 . . . . 0.0 108.704 174.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.637 ' CE1' HG22 ' A' ' 102' ' ' ILE . 98.3 m-85 -111.36 125.04 53.43 Favored 'General case' 0 C--N 1.36 1.029 0 CA-C-N 119.398 0.999 . . . . 0.0 113.012 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -123.84 149.19 46.04 Favored 'General case' 0 C--N 1.371 1.51 0 C-N-CA 125.265 1.426 . . . . 0.0 112.189 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.2 p -115.19 165.25 13.14 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 127.909 2.484 . . . . 0.0 111.313 176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -100.16 118.94 37.53 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 125.304 1.441 . . . . 0.0 110.041 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 36.0 m -127.16 150.16 32.83 Favored 'Isoleucine or valine' 0 C--N 1.362 1.114 0 C-N-CA 125.577 1.551 . . . . 0.0 109.419 -177.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -114.33 133.03 55.97 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 126.452 1.901 . . . . 0.0 108.346 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -129.46 -176.38 3.88 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 125.427 1.491 . . . . 0.0 110.138 -176.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . 0.256 9.4 t 89.38 -61.11 0.02 OUTLIER 'General case' 0 C--N 1.367 1.354 0 C-N-CA 126.668 1.987 . . . . 0.0 114.385 174.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -152.34 -168.66 3.12 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 -178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -103.16 -35.4 3.67 Favored Glycine 0 C--N 1.354 1.534 0 C-N-CA 126.446 1.974 . . . . 0.0 111.05 172.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -162.57 68.04 0.23 Allowed 'General case' 0 C--N 1.357 0.923 0 O-C-N 121.613 -0.933 . . . . 0.0 109.024 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 170.65 83.73 0.06 OUTLIER Glycine 0 C--N 1.357 1.733 0 O-C-N 119.849 -1.782 . . . . 0.0 111.188 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.97 74.3 1.23 Allowed Glycine 0 C--N 1.364 2.093 0 C-N-CA 125.148 1.356 . . . . 0.0 110.015 -177.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -117.74 144.58 45.16 Favored 'General case' 0 CA--C 1.506 -0.731 0 O-C-N 121.569 -0.96 . . . . 0.0 110.194 -172.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 19.3 m -141.02 138.83 33.95 Favored 'General case' 0 C--N 1.35 0.625 0 N-CA-C 104.259 -2.497 . . . . 0.0 104.259 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -113.66 149.1 35.15 Favored 'General case' 0 C--N 1.35 0.597 0 C-N-CA 126.452 1.901 . . . . 0.0 109.232 -176.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -152.55 161.06 43.1 Favored 'General case' 0 C--N 1.351 0.631 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -175.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -97.76 113.03 24.71 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 129.479 3.111 . . . . 0.0 107.303 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.4 t -118.97 151.12 21.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 C-N-CA 125.631 1.572 . . . . 0.0 107.255 -174.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -64.74 137.43 57.79 Favored 'General case' 0 C--N 1.367 1.334 0 C-N-CA 127.233 2.213 . . . . 0.0 114.816 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -101.16 -45.98 5.2 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 128.944 2.898 . . . . 0.0 107.827 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.406 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 1.6 p90 -171.06 177.4 3.7 Favored 'General case' 0 C--N 1.353 0.718 0 N-CA-C 103.725 -2.695 . . . . 0.0 103.725 -178.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.8 t -141.32 131.68 25.14 Favored 'General case' 0 CA--C 1.502 -0.874 1 N-CA-C 98.089 -4.782 . . . . 0.0 98.089 169.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.75 165.04 35.25 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -174.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.37 114.57 20.92 Favored 'General case' 0 C--N 1.361 1.093 0 C-N-CA 128.155 2.582 . . . . 0.0 109.395 174.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.15 160.39 43.41 Favored 'General case' 0 CA--C 1.499 -0.986 0 N-CA-C 105.376 -2.083 . . . . 0.0 105.376 -173.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -104.48 104.0 13.78 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 102.904 -2.999 . . . . 0.0 102.904 169.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.487 HG13 HD13 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -111.06 114.46 47.18 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 1 N-CA-C 97.044 -5.169 . . . . 0.0 97.044 179.749 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.99 140.39 23.98 Favored Pre-proline 0 C--N 1.368 1.401 0 CA-C-N 120.858 1.663 . . . . 0.0 110.76 178.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -72.05 133.64 21.83 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 124.271 3.314 . . . . 0.0 108.373 164.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.7 tp -69.06 139.28 20.72 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 N-CA-C 116.619 2.081 . . . . 0.0 116.619 -174.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 p -61.18 9.19 0.03 OUTLIER 'General case' 0 C--N 1.363 1.183 0 N-CA-C 120.77 3.618 . . . . 0.0 120.77 -177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.39 10.49 12.74 Favored 'General case' 0 C--N 1.361 1.094 0 C-N-CA 125.959 1.704 . . . . 0.0 110.237 174.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -20.06 64.65 Favored 'General case' 0 C--N 1.367 1.361 0 N-CA-C 118.273 2.694 . . . . 0.0 118.273 -175.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -133.32 -34.95 1.04 Allowed 'General case' 0 C--N 1.352 0.705 0 C-N-CA 124.318 1.047 . . . . 0.0 112.538 -176.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -81.38 -45.41 16.16 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 125.921 1.688 . . . . 0.0 114.064 -177.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 75.47 31.12 0.78 Allowed 'General case' 0 C--N 1.365 1.246 0 C-N-CA 128.449 2.699 . . . . 0.0 114.665 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -110.08 151.73 26.84 Favored 'General case' 0 C--N 1.362 1.13 0 O-C-N 119.585 -1.947 . . . . 0.0 111.883 -175.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -92.47 30.03 1.59 Allowed 'General case' 0 C--N 1.361 1.072 0 C-N-CA 127.463 2.305 . . . . 0.0 115.292 -175.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -70.49 50.57 0.12 Allowed 'General case' 0 C--N 1.36 1.047 0 C-N-CA 127.517 2.327 . . . . 0.0 116.391 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 79.34 -47.57 0.38 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 131.627 3.971 . . . . 0.0 115.506 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.4 mt -88.57 66.03 8.04 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 126.809 2.043 . . . . 0.0 115.823 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -137.12 135.49 37.46 Favored 'General case' 0 C--N 1.364 1.232 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 70.0 p -132.57 163.23 52.15 Favored Pre-proline 0 C--N 1.358 0.971 1 N-CA-C 99.189 -4.374 . . . . 0.0 99.189 170.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -79.18 154.12 25.0 Favored 'Trans proline' 0 CA--C 1.546 1.077 1 CA-C-N 129.964 4.594 . . . . 0.0 113.603 -176.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 20.7 tt -36.36 115.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.372 1.569 1 C-N-CA 133.774 4.83 . . . . 0.0 116.864 -178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 155.74 -155.0 25.96 Favored Glycine 0 C--N 1.359 1.824 0 N-CA-C 108.47 -1.852 . . . . 0.0 108.47 -165.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -106.54 142.43 36.21 Favored 'General case' 0 C--N 1.359 1.016 0 CA-C-O 123.407 1.575 . . . . 0.0 110.362 174.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -116.62 119.49 35.68 Favored 'General case' 0 C--N 1.354 0.78 0 N-CA-C 104.089 -2.559 . . . . 0.0 104.089 176.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.806 HG23 HG23 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -150.23 130.66 4.21 Favored 'Isoleucine or valine' 0 C--N 1.356 0.869 0 O-C-N 119.902 -1.748 . . . . 0.0 111.941 -171.585 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.259 2.9 p90 -126.14 146.46 49.94 Favored 'General case' 0 C--N 1.364 1.221 0 C-N-CA 126.288 1.835 . . . . 0.0 107.035 169.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.405 HG22 ' HD2' ' A' ' 97' ' ' PRO . 0.9 OUTLIER -137.87 153.98 74.16 Favored Pre-proline 0 C--N 1.353 0.76 0 C-N-CA 126.57 1.948 . . . . 0.0 106.387 -175.429 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.405 ' HD2' HG22 ' A' ' 96' ' ' THR . 94.6 Cg_endo -71.92 126.59 12.05 Favored 'Trans proline' 0 CA--C 1.558 1.698 0 C-N-CA 123.02 2.48 . . . . 0.0 108.823 161.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.296 0.5 OUTLIER 18.82 19.07 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.108 2 C-N-CA 134.827 5.251 . . . . 0.0 124.889 -176.148 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -103.74 128.99 51.07 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 126.982 2.113 . . . . 0.0 109.26 176.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -104.66 37.29 2.17 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 125.673 1.589 . . . . 0.0 108.536 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.403 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 95.6 mtt180 -102.14 -49.31 3.95 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 116.203 1.927 . . . . 0.0 116.203 -168.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.735 HG21 HD11 ' A' ' 94' ' ' ILE . 1.0 OUTLIER -13.7 -71.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.39 2.343 1 C-N-CA 132.447 4.299 . . . . 0.0 119.982 173.646 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.434 ' H ' ' CD1' ' A' ' 102' ' ' ILE 0.283 12.9 p-10 -133.31 113.24 12.37 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.783 1.233 . . . . 0.0 109.848 165.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -173.18 55.89 0.02 OUTLIER 'General case' 0 C--N 1.352 0.684 0 N-CA-C 104.197 -2.52 . . . . 0.0 104.197 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 82.72 62.64 0.02 OUTLIER 'General case' 0 C--N 1.37 1.477 0 C-N-CA 129.653 3.181 . . . . 0.0 110.108 -173.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.2 mmt -137.13 162.44 33.4 Favored 'General case' 0 C--N 1.362 1.117 0 CA-C-O 123.02 1.39 . . . . 0.0 112.362 -171.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -130.08 123.52 30.62 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 101.77 -3.419 . . . . 0.0 101.77 171.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.9 m -128.02 152.57 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.751 0 CA-C-O 122.868 1.318 . . . . 0.0 108.801 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 76.7 mt -117.59 105.99 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.964 0 N-CA-C 101.095 -3.668 . . . . 0.0 101.095 168.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -111.86 124.79 53.1 Favored 'General case' 0 C--N 1.36 1.049 0 N-CA-C 103.597 -2.742 . . . . 0.0 103.597 174.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 48.48 31.96 3.11 Favored 'General case' 0 C--N 1.367 1.369 0 C-N-CA 128.659 2.784 . . . . 0.0 117.387 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 84.6 10.36 79.6 Favored Glycine 0 C--N 1.359 1.83 0 C-N-CA 126.195 1.855 . . . . 0.0 116.335 -175.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -110.26 126.65 54.4 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-N 120.005 1.903 . . . . 0.0 109.25 -178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 3.3 mt -98.39 118.0 44.24 Favored 'Isoleucine or valine' 0 C--N 1.37 1.464 0 C-N-CA 124.724 1.21 . . . . 0.0 110.192 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.5 m -131.41 152.51 37.39 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 C-N-CA 125.752 1.621 . . . . 0.0 109.659 177.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.3 t -123.82 133.66 53.76 Favored 'General case' 0 C--N 1.368 1.383 0 C-N-CA 126.888 2.075 . . . . 0.0 105.59 176.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -169.45 160.14 9.02 Favored 'General case' 0 C--N 1.355 0.809 0 C-N-CA 123.929 0.892 . . . . 0.0 112.151 -171.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.39 132.54 60.42 Favored 'Isoleucine or valine' 0 C--N 1.361 1.09 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 177.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -130.4 -174.38 13.67 Favored Glycine 0 C--N 1.364 2.084 0 C-N-CA 124.413 1.006 . . . . 0.0 112.774 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -134.88 83.93 39.38 Favored Pre-proline 0 C--N 1.36 1.045 0 C-N-CA 126.861 2.064 . . . . 0.0 109.815 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -75.87 134.27 16.21 Favored 'Trans proline' 0 C--N 1.355 0.906 0 C-N-CA 124.736 3.624 . . . . 0.0 115.087 -171.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.3 p -116.34 139.2 44.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.965 0 C-N-CA 124.775 1.23 . . . . 0.0 111.27 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -87.98 153.93 20.9 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 127.181 2.193 . . . . 0.0 111.937 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 31.6 tp -88.74 -37.93 15.1 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 83.6 p -169.07 -159.71 0.24 Allowed 'General case' 0 C--N 1.359 1.016 0 O-C-N 120.151 -1.593 . . . . 0.0 110.739 -174.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -127.64 34.9 2.91 Favored Glycine 0 C--N 1.359 1.821 0 C-N-CA 127.377 2.418 . . . . 0.0 108.747 165.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 60.6 tp -133.58 -55.99 0.89 Allowed 'General case' 0 C--N 1.359 1.004 0 C-N-CA 126.639 1.976 . . . . 0.0 110.14 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -113.15 94.74 5.03 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 127.784 2.434 . . . . 0.0 105.778 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -64.77 59.23 0.02 OUTLIER 'General case' 0 C--N 1.361 1.072 1 C-N-CA 132.006 4.122 . . . . 0.0 117.648 -173.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 75.9 mt -116.71 129.8 72.63 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 C-N-CA 127.573 2.349 . . . . 0.0 110.444 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.0 p -113.37 128.82 56.59 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 127.342 2.257 . . . . 0.0 107.843 170.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 53.6 ttt85 -124.5 137.79 54.39 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 120.382 -1.449 . . . . 0.0 111.566 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.806 HG23 HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -129.2 124.33 60.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 N-CA-C 106.425 -1.694 . . . . 0.0 106.425 175.614 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -121.55 126.15 48.47 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 104.124 -2.547 . . . . 0.0 104.124 173.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -142.54 149.17 21.02 Favored Glycine 0 C--N 1.352 1.452 0 N-CA-C 109.789 -1.324 . . . . 0.0 109.789 -174.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -126.04 135.97 52.41 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 126.32 1.848 . . . . 0.0 107.933 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -126.42 114.05 17.68 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.854 1.262 . . . . 0.0 108.142 -177.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -136.67 121.83 19.11 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 67.68 -116.79 8.13 Favored Glycine 0 C--N 1.364 2.125 0 C-N-CA 125.6 1.572 . . . . 0.0 116.117 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -124.23 42.31 3.28 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 125.088 1.355 . . . . 0.0 109.769 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.7 t80 81.13 51.84 0.02 OUTLIER 'General case' 0 C--N 1.366 1.315 0 C-N-CA 128.242 2.617 . . . . 0.0 111.358 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.65 97.57 5.84 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 C-N-CA 124.442 1.097 . . . . 0.0 108.321 -176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.361 1.97 0 C-N-CA 124.694 1.14 . . . . 0.0 111.945 -175.448 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 91.6 mmm . . . . . 0 N--CA 1.442 -0.858 0 CA-C-O 121.657 0.741 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -128.73 -138.21 0.23 Allowed 'General case' 0 C--N 1.354 0.765 0 C-N-CA 125.85 1.66 . . . . 0.0 107.138 -178.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -83.29 60.5 5.61 Favored 'General case' 0 C--N 1.363 1.159 0 O-C-N 119.503 -1.998 . . . . 0.0 114.533 178.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -112.69 98.26 7.11 Favored 'General case' 0 C--N 1.358 0.96 0 N-CA-C 103.216 -2.883 . . . . 0.0 103.216 174.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -91.54 161.79 14.8 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 -171.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -57.56 -27.53 62.75 Favored 'General case' 0 C--N 1.365 1.274 1 C-N-CA 132.298 4.239 . . . . 0.0 116.301 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.559 ' HB3' ' HE ' ' A' ' 111' ' ' ARG . 0.7 OUTLIER -118.93 132.09 56.07 Favored 'General case' 0 C--N 1.365 1.248 0 CA-C-O 123.025 1.393 . . . . 0.0 108.653 173.839 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.31 115.88 49.64 Favored 'Isoleucine or valine' 0 C--N 1.365 1.239 0 N-CA-C 103.742 -2.688 . . . . 0.0 103.742 178.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 110' ' ' TYR . 33.7 mm -102.41 158.89 4.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 C-N-CA 125.776 1.631 . . . . 0.0 111.474 -167.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.72 109.46 16.12 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 125.423 1.489 . . . . 0.0 108.38 -178.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.604 ' CE2' HG22 ' A' ' 102' ' ' ILE . 40.5 m-85 -102.59 130.4 49.45 Favored 'General case' 0 C--N 1.36 1.023 0 C-N-CA 124.872 1.269 . . . . 0.0 112.844 -176.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -139.77 170.05 16.6 Favored 'General case' 0 C--N 1.374 1.667 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -173.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.4 t -141.73 165.86 26.33 Favored 'General case' 0 C--N 1.372 1.548 0 CA-C-O 122.337 1.065 . . . . 0.0 111.383 -176.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -122.18 127.24 49.8 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 127.124 2.17 . . . . 0.0 105.453 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.6 m -137.98 144.63 30.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.895 0 C-N-CA 125.826 1.65 . . . . 0.0 109.188 -177.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -117.61 22.65 12.24 Favored 'General case' 0 C--N 1.372 1.548 0 C-N-CA 126.423 1.889 . . . . 0.0 111.492 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -95.98 95.07 7.97 Favored 'General case' 0 C--N 1.354 0.771 0 C-N-CA 128.844 2.858 . . . . 0.0 109.482 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.0 t -103.76 0.52 30.54 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 128.036 2.534 . . . . 0.0 110.487 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 105.01 175.42 0.0 OUTLIER 'General case' 0 C--N 1.364 1.207 0 C-N-CA 131.423 3.889 . . . . 0.0 108.197 -173.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -93.14 65.88 1.88 Allowed Glycine 0 C--N 1.369 2.411 0 C-N-CA 126.676 2.084 . . . . 0.0 112.714 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -155.24 154.82 32.77 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 103.117 -2.92 . . . . 0.0 103.117 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -68.99 56.47 0.55 Allowed Glycine 0 C--N 1.36 1.878 0 N-CA-C 119.695 2.638 . . . . 0.0 119.695 -172.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -142.78 45.38 0.92 Allowed Glycine 0 C--N 1.348 1.225 0 N-CA-C 107.63 -2.188 . . . . 0.0 107.63 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -85.0 93.71 8.65 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 126.75 2.02 . . . . 0.0 113.768 -175.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 7.0 t -129.03 -173.92 3.12 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 105.642 -1.984 . . . . 0.0 105.642 175.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -126.91 159.43 34.03 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 125.468 1.507 . . . . 0.0 111.82 -174.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -150.96 161.33 42.94 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 126.986 2.114 . . . . 0.0 107.361 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -104.39 133.76 48.74 Favored 'General case' 0 N--CA 1.437 -1.089 0 C-N-CA 128.904 2.882 . . . . 0.0 106.252 175.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.5 t -135.23 149.37 28.78 Favored 'Isoleucine or valine' 0 C--N 1.362 1.127 0 C-N-CA 127.472 2.309 . . . . 0.0 107.575 -173.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -95.75 136.2 36.47 Favored 'General case' 0 C--N 1.369 1.452 0 C-N-CA 126.279 1.832 . . . . 0.0 109.245 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -92.54 -55.89 3.23 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 124.987 1.315 . . . . 0.0 112.503 -172.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 6.0 p90 -168.88 176.88 5.25 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 -177.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -136.81 133.53 36.01 Favored 'General case' 0 C--N 1.348 0.525 0 N-CA-C 104.421 -2.437 . . . . 0.0 104.421 171.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -145.74 155.38 42.92 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.39 114.77 21.07 Favored 'General case' 0 C--N 1.371 1.538 0 C-N-CA 127.161 2.184 . . . . 0.0 105.216 173.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -166.69 155.0 10.14 Favored 'General case' 0 CA--C 1.476 -1.892 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 -163.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -97.29 108.44 21.16 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 104.162 -2.533 . . . . 0.0 104.162 171.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.517 HG22 HD13 ' A' ' 94' ' ' ILE . 2.1 t -123.37 98.42 5.55 Favored 'Isoleucine or valine' 0 C--N 1.364 1.211 1 N-CA-C 97.414 -5.032 . . . . 0.0 97.414 178.842 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 -137.85 153.46 73.79 Favored Pre-proline 0 C--N 1.369 1.423 0 O-C-N 120.397 -1.44 . . . . 0.0 111.734 -167.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.19 140.94 38.43 Favored 'Trans proline' 0 C--N 1.367 1.534 1 C-N-CA 125.624 4.216 . . . . 0.0 113.908 -178.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.31 57.8 mt 43.79 -79.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.265 1 C-N-CA 133.2 4.6 . . . . 0.0 115.988 179.53 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 75.1 m -166.14 39.81 0.06 Allowed 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 106.552 -1.647 . . . . 0.0 106.552 175.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 53.89 -61.23 0.01 OUTLIER 'General case' 0 C--N 1.371 1.517 0 N-CA-C 119.242 3.053 . . . . 0.0 119.242 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -95.35 -42.68 8.38 Favored 'General case' 0 C--N 1.349 0.568 0 C-N-CA 128.596 2.758 . . . . 0.0 108.829 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . 0.303 83.3 mt-10 90.46 135.55 0.03 OUTLIER 'General case' 0 C--N 1.361 1.079 0 C-N-CA 129.044 2.938 . . . . 0.0 115.885 176.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -88.96 -1.11 57.95 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.429 1.892 . . . . 0.0 113.784 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -169.35 168.95 9.34 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 104.419 -2.437 . . . . 0.0 104.419 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -78.9 73.77 5.44 Favored 'General case' 0 C--N 1.368 1.384 0 CA-C-O 122.988 1.375 . . . . 0.0 113.59 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.09 2.31 54.28 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 129.747 3.219 . . . . 0.0 116.193 -176.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . 0.262 34.1 mt-30 94.72 108.39 0.02 OUTLIER 'General case' 0 C--N 1.357 0.914 0 C-N-CA 129.059 2.944 . . . . 0.0 114.239 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.37 -3.09 9.97 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 125.683 1.593 . . . . 0.0 112.711 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.7 mt -111.85 -30.03 7.45 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -86.82 -80.92 0.23 Allowed 'General case' 0 C--N 1.363 1.167 0 C-N-CA 125.028 1.331 . . . . 0.0 112.862 -177.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 t -159.6 147.4 13.19 Favored Pre-proline 0 C--N 1.36 1.032 0 N-CA-C 105.658 -1.979 . . . . 0.0 105.658 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -79.24 123.55 5.62 Favored 'Trans proline' 0 C--N 1.356 0.952 0 C-N-CA 123.247 2.632 . . . . 0.0 113.748 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.1 pt -98.11 1.14 10.53 Favored 'Isoleucine or valine' 0 C--N 1.361 1.069 0 C-N-CA 126.803 2.041 . . . . 0.0 113.671 -177.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -146.79 147.52 18.46 Favored Glycine 0 C--N 1.351 1.402 0 N-CA-C 108.531 -1.828 . . . . 0.0 108.531 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -127.66 143.53 51.15 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 125.799 1.639 . . . . 0.0 106.949 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -128.39 120.97 28.01 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 100.882 -3.748 . . . . 0.0 100.882 175.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.517 HD13 HG22 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -140.07 126.0 21.55 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 CA-C-O 122.87 1.319 . . . . 0.0 109.967 -166.782 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.295 0.1 OUTLIER -129.45 128.73 43.52 Favored 'General case' 0 C--N 1.369 1.414 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 171.61 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.4 t -139.75 157.16 70.4 Favored Pre-proline 0 C--N 1.347 0.49 0 C-N-CA 128.192 2.597 . . . . 0.0 106.715 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -71.71 144.89 45.12 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 123.814 3.009 . . . . 0.0 110.656 166.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.297 0.2 OUTLIER 6.01 22.99 0.0 OUTLIER 'General case' 0 C--N 1.359 0.98 2 C-N-CA 137.873 6.469 . . . . 0.0 125.376 -175.676 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -103.5 129.91 50.77 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 127.832 2.453 . . . . 0.0 109.414 175.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -105.61 15.5 26.87 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 127.279 2.232 . . . . 0.0 108.77 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.462 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 28.8 mmm180 -99.18 2.05 45.46 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 129.154 2.982 . . . . 0.0 118.113 -168.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.604 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -68.28 -73.13 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.139 0 C-N-CA 128.887 2.875 . . . . 0.0 114.704 173.397 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -120.96 124.51 45.08 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 126.512 1.925 . . . . 0.0 109.351 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -143.58 -71.33 0.3 Allowed 'General case' 0 CA--C 1.509 -0.628 0 N-CA-C 102.328 -3.212 . . . . 0.0 102.328 173.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.409 ' H ' ' HG3' ' A' ' 106' ' ' MET . 24.9 ttmm -162.98 77.75 0.45 Allowed 'General case' 0 N--CA 1.448 -0.531 1 N-CA-C 98.983 -4.451 . . . . 0.0 98.983 173.635 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.409 ' HG3' ' H ' ' A' ' 105' ' ' LYS . 82.5 mtp -149.16 -178.37 6.35 Favored 'General case' 0 C--N 1.363 1.172 0 C-N-CA 125.382 1.473 . . . . 0.0 108.595 -165.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -128.5 137.45 51.79 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 124.888 1.275 . . . . 0.0 108.411 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.455 HG11 HG11 ' A' ' 72' ' ' VAL . 47.6 t -129.54 146.55 34.0 Favored 'Isoleucine or valine' 0 C--N 1.358 0.965 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 175.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.5 pt -121.16 111.39 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.013 0 N-CA-C 106.554 -1.647 . . . . 0.0 106.554 171.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.411 ' HA ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -95.04 111.64 23.42 Favored 'General case' 0 C--N 1.373 1.587 0 C-N-CA 127.658 2.383 . . . . 0.0 104.8 173.085 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.559 ' HE ' ' HB3' ' A' ' 41' ' ' ASP . 98.2 mtt180 45.77 32.31 1.21 Allowed 'General case' 0 C--N 1.368 1.396 0 N-CA-C 118.549 2.796 . . . . 0.0 118.549 -177.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.54 5.41 65.05 Favored Glycine 0 C--N 1.361 1.958 0 C-N-CA 125.536 1.541 . . . . 0.0 115.744 -173.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.3 ttpp -99.86 113.07 25.36 Favored 'General case' 0 C--N 1.365 1.246 0 CA-C-N 119.688 1.744 . . . . 0.0 109.797 178.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.729 ' H ' HD13 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -79.2 114.17 19.58 Favored 'Isoleucine or valine' 0 C--N 1.365 1.272 0 C-N-CA 130.593 3.557 . . . . 0.0 115.022 -176.838 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 25.1 t -131.69 137.79 54.33 Favored 'Isoleucine or valine' 0 C--N 1.362 1.14 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.7 t -118.26 129.65 55.59 Favored 'General case' 0 C--N 1.366 1.324 0 N-CA-C 104.497 -2.408 . . . . 0.0 104.497 177.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -158.19 161.36 37.83 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 116.985 2.217 . . . . 0.0 116.985 -170.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.478 HD13 ' H ' ' A' ' 118' ' ' ILE . 0.2 OUTLIER -106.11 136.36 40.88 Favored 'Isoleucine or valine' 0 C--N 1.369 1.444 0 C-N-CA 127.67 2.388 . . . . 0.0 110.074 174.785 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -162.82 -178.13 36.39 Favored Glycine 0 C--N 1.365 2.163 0 O-C-N 119.912 -1.742 . . . . 0.0 111.148 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -151.81 127.5 4.98 Favored Pre-proline 0 C--N 1.369 1.428 0 CA-C-N 118.481 1.14 . . . . 0.0 109.467 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -93.53 159.0 2.42 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.859 3.706 . . . . 0.0 114.148 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 15.0 m -130.2 134.36 62.75 Favored 'Isoleucine or valine' 0 C--N 1.363 1.167 0 C-N-CA 126.118 1.767 . . . . 0.0 107.219 172.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -102.11 142.75 32.88 Favored 'General case' 0 C--N 1.366 1.3 0 O-C-N 120.588 -1.32 . . . . 0.0 111.674 178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -84.46 -30.05 25.58 Favored 'General case' 0 C--N 1.362 1.131 0 O-C-N 120.353 -1.467 . . . . 0.0 114.056 -178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.4 t 70.69 -66.21 0.3 Allowed 'General case' 0 C--N 1.357 0.914 0 C-N-CA 126.534 1.933 . . . . 0.0 115.996 175.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -94.85 55.3 1.9 Allowed Glycine 0 C--N 1.364 2.122 0 C-N-CA 126.151 1.834 . . . . 0.0 112.084 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 4.6 mt -162.01 169.9 20.22 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 128.058 2.543 . . . . 0.0 104.576 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -44.85 19.72 0.0 OUTLIER 'General case' 0 C--N 1.36 1.047 2 C-N-CA 134.019 4.928 . . . . 0.0 122.707 -177.205 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 69.45 51.02 0.5 Allowed 'General case' 0 C--N 1.366 1.284 0 C-N-CA 128.647 2.779 . . . . 0.0 111.551 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 17.8 tt -112.55 129.16 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 O-C-N 120.337 -1.477 . . . . 0.0 111.064 -174.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.9 p -108.12 126.26 52.56 Favored 'General case' 0 C--N 1.36 1.045 0 N-CA-C 105.353 -2.092 . . . . 0.0 105.353 174.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -124.09 135.42 53.53 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 105.288 -2.116 . . . . 0.0 105.288 -175.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.519 HG21 HD11 ' A' ' 102' ' ' ILE . 2.2 tt -148.43 147.6 16.79 Favored 'Isoleucine or valine' 0 C--N 1.349 0.577 0 CA-C-O 122.39 1.09 . . . . 0.0 109.351 -173.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.95 139.26 51.97 Favored 'General case' 0 C--N 1.36 1.047 0 N-CA-C 103.536 -2.765 . . . . 0.0 103.536 170.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.56 161.22 28.35 Favored Glycine 0 C--N 1.358 1.773 0 N-CA-C 108.156 -1.978 . . . . 0.0 108.156 177.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.8 pptp? -144.95 165.78 27.18 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.621 -1.517 . . . . 0.0 109.238 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -129.92 115.19 16.83 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 173.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -154.66 177.84 10.78 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 104.689 -2.338 . . . . 0.0 104.689 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -154.82 -159.73 9.45 Favored Glycine 0 C--N 1.355 1.621 0 N-CA-C 108.732 -1.747 . . . . 0.0 108.732 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -154.03 -176.33 5.8 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.866 1.266 . . . . 0.0 107.586 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -153.33 165.75 34.77 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 12.3 t -96.67 64.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.363 1.194 0 C-N-CA 125.198 1.399 . . . . 0.0 109.601 178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.473 0 N-CA-C 109.184 -1.567 . . . . 0.0 109.184 -178.922 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.7 ptm . . . . . 0 N--CA 1.446 -0.631 0 CA-C-O 122.729 1.252 . . . . 0.0 108.42 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -162.22 179.92 7.54 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 103.798 -2.667 . . . . 0.0 103.798 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -82.24 64.29 6.84 Favored 'General case' 0 C--N 1.362 1.139 0 C-N-CA 126.08 1.752 . . . . 0.0 111.006 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -127.3 9.61 6.7 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 126.373 1.869 . . . . 0.0 111.97 -174.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 71' ' ' HIS . 16.9 m-85 -96.07 45.41 1.07 Allowed 'General case' 0 C--N 1.361 1.085 0 O-C-N 119.494 -2.004 . . . . 0.0 111.744 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -134.66 44.49 2.65 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 127.429 2.291 . . . . 0.0 109.439 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -107.65 171.85 7.16 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 120.253 -1.53 . . . . 0.0 111.071 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -97.35 131.2 44.75 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 C-N-CA 126.195 1.798 . . . . 0.0 106.313 175.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.1 mp -126.03 151.82 32.67 Favored 'Isoleucine or valine' 0 C--N 1.363 1.177 0 C-N-CA 124.981 1.312 . . . . 0.0 108.272 -176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.51 112.51 19.04 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 123.543 0.737 . . . . 0.0 111.585 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.453 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 77.5 m-85 -101.23 128.81 47.19 Favored 'General case' 0 C--N 1.363 1.178 0 N-CA-C 115.936 1.828 . . . . 0.0 115.936 178.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -138.2 168.94 18.68 Favored 'General case' 0 C--N 1.373 1.605 0 C-N-CA 125.569 1.548 . . . . 0.0 113.261 173.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.3 t -138.67 167.41 22.03 Favored 'General case' 0 C--N 1.369 1.456 0 C-N-CA 125.724 1.61 . . . . 0.0 112.512 176.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -110.28 116.6 31.77 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 128.796 2.838 . . . . 0.0 104.459 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.5 t -118.49 144.01 27.83 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 O-C-N 120.707 -1.246 . . . . 0.0 109.945 -167.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -89.88 139.64 30.39 Favored 'General case' 0 C--N 1.367 1.348 0 C-N-CA 125.695 1.598 . . . . 0.0 112.434 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -144.15 155.11 43.79 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.767 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.0 m 172.64 116.68 0.02 OUTLIER 'General case' 0 C--N 1.356 0.854 0 N-CA-C 104.529 -2.397 . . . . 0.0 104.529 175.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.39 51.37 0.86 Allowed 'General case' 0 C--N 1.362 1.124 0 C-N-CA 126.834 2.053 . . . . 0.0 114.996 -173.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.95 -81.82 0.1 OUTLIER Glycine 0 C--N 1.355 1.592 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -147.88 114.08 5.87 Favored 'General case' 0 C--N 1.351 0.636 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 164.73 -152.93 22.87 Favored Glycine 0 C--N 1.355 1.613 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 148.25 44.32 0.03 OUTLIER Glycine 0 C--N 1.357 1.728 0 C-N-CA 123.516 0.579 . . . . 0.0 114.269 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -103.72 1.86 32.32 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 125.579 1.552 . . . . 0.0 111.167 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.8 m -100.5 105.42 16.86 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 129.716 3.207 . . . . 0.0 109.597 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -116.16 127.58 54.93 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -144.52 149.2 35.52 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 121.254 -0.904 . . . . 0.0 109.454 -176.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -87.78 131.82 34.37 Favored 'General case' 0 C--N 1.363 1.174 0 C-N-CA 128.509 2.724 . . . . 0.0 115.782 -174.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.9 m -143.25 156.19 17.05 Favored 'Isoleucine or valine' 0 C--N 1.364 1.21 0 C-N-CA 127.761 2.425 . . . . 0.0 106.181 177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -85.15 146.2 27.24 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 126.204 1.802 . . . . 0.0 112.216 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -99.23 -56.34 2.44 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 125.695 1.598 . . . . 0.0 111.735 -175.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.453 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 15.7 p90 -166.91 171.83 10.88 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 105.34 -2.096 . . . . 0.0 105.34 -179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.5 t -141.37 132.88 26.91 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 101.129 -3.656 . . . . 0.0 101.129 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.5 161.04 40.04 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -87.88 114.16 24.23 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 172.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.11 170.8 2.63 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 125.07 1.348 . . . . 0.0 107.463 -165.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.549 ' HB3' ' CD2' ' A' ' 39' ' ' PHE 0.279 44.7 t60 -141.04 130.74 24.16 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 123.82 1.771 . . . . 0.0 106.531 169.662 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.594 HG11 HG21 ' A' ' 108' ' ' VAL . 55.4 t -125.23 97.93 4.76 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 C-N-CA 128.625 2.77 . . . . 0.0 103.943 -166.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . 0.303 8.3 mt-30 -142.94 173.64 4.38 Favored Pre-proline 0 C--N 1.374 1.653 0 O-C-N 119.688 -1.882 . . . . 0.0 113.344 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.501 ' HA ' ' HA ' ' A' ' 92' ' ' TYR . 55.3 Cg_exo -61.4 157.08 42.67 Favored 'Trans proline' 0 CA--C 1.561 1.826 1 C-N-CA 126.416 4.744 . . . . 0.0 118.308 178.421 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.258 14.0 tt -60.24 91.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.367 0 C-N-CA 129.838 3.255 . . . . 0.0 119.501 -177.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . 0.329 82.4 p 83.71 -55.15 0.14 Allowed 'General case' 0 C--N 1.365 1.259 0 O-C-N 118.485 -2.634 . . . . 0.0 113.335 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -107.16 137.66 44.8 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 126.875 2.07 . . . . 0.0 106.383 173.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -92.84 7.98 41.5 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 118.414 2.746 . . . . 0.0 118.414 -166.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . 0.41 6.1 pt-20 67.97 -38.64 0.37 Allowed 'General case' 0 C--N 1.362 1.15 0 C-N-CA 128.526 2.73 . . . . 0.0 115.921 -176.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -68.03 -17.73 64.49 Favored 'General case' 0 C--N 1.363 1.178 1 C-N-CA 134.486 5.114 . . . . 0.0 114.009 175.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -117.22 -76.43 0.57 Allowed 'General case' 0 C--N 1.358 0.943 0 C-N-CA 126.513 1.925 . . . . 0.0 107.237 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -113.72 109.82 19.19 Favored 'General case' 0 C--N 1.358 0.958 0 O-C-N 120.586 -1.321 . . . . 0.0 112.005 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.5 1.41 38.06 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 127.088 2.155 . . . . 0.0 111.194 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . 0.313 10.3 tt0 64.47 -94.51 0.04 OUTLIER 'General case' 0 C--N 1.357 0.932 0 C-N-CA 131.4 3.88 . . . . 0.0 115.278 -178.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -173.09 72.37 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 106.204 -1.776 . . . . 0.0 106.204 178.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.1 tm? 76.38 -52.6 0.6 Allowed 'General case' 0 C--N 1.369 1.444 0 C-N-CA 127.709 2.404 . . . . 0.0 113.66 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -91.15 101.92 14.65 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 127.782 2.433 . . . . 0.0 108.783 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.8 t -150.53 158.66 35.61 Favored Pre-proline 0 CA--C 1.507 -0.679 1 N-CA-C 100.116 -4.031 . . . . 0.0 100.116 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -70.91 124.4 10.58 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 CA-C-N 126.065 3.202 . . . . 0.0 112.014 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.9 mm -91.44 89.18 2.91 Favored 'Isoleucine or valine' 0 C--N 1.36 1.04 0 C-N-CA 124.024 0.93 . . . . 0.0 109.218 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -170.41 159.95 32.5 Favored Glycine 0 C--N 1.355 1.624 0 CA-C-O 122.344 0.969 . . . . 0.0 111.631 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 74' ' ' PRO . 14.6 m-85 -108.95 148.16 31.14 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 127.165 2.186 . . . . 0.0 112.454 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -134.9 119.96 18.69 Favored 'General case' 0 C--N 1.362 1.139 0 N-CA-C 104.324 -2.473 . . . . 0.0 104.324 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.566 HD12 HG13 ' A' ' 72' ' ' VAL . 3.8 mm -141.0 140.53 32.55 Favored 'Isoleucine or valine' 0 C--N 1.354 0.789 0 CA-C-N 114.434 -1.257 . . . . 0.0 112.762 -164.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.369 0.7 OUTLIER -131.31 137.76 48.94 Favored 'General case' 0 C--N 1.374 1.666 0 N-CA-C 106.075 -1.824 . . . . 0.0 106.075 161.474 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.1 t -140.84 160.24 59.27 Favored Pre-proline 0 C--N 1.357 0.905 0 N-CA-C 105.28 -2.119 . . . . 0.0 105.28 175.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -66.87 131.25 25.12 Favored 'Trans proline' 0 C--N 1.365 1.416 0 C-N-CA 124.603 3.535 . . . . 0.0 109.755 162.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.432 1.6 t80 33.55 137.44 0.0 OUTLIER 'General case' 0 C--N 1.36 1.043 2 C-N-CA 135.349 5.46 . . . . 0.0 121.82 -172.986 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . 0.28 9.6 p-10 -58.88 90.22 0.01 OUTLIER 'General case' 0 C--N 1.367 1.349 0 N-CA-C 118.099 2.629 . . . . 0.0 118.099 -176.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -101.55 -124.84 0.18 Allowed 'General case' 0 C--N 1.354 0.789 0 C-N-CA 127.185 2.194 . . . . 0.0 105.678 173.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 73.3 mmt-85 -101.6 -51.84 3.36 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 119.548 -1.97 . . . . 0.0 115.562 -177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.442 ' HA ' ' CE1' ' A' ' 45' ' ' PHE 0.329 3.7 mp 71.01 -83.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.38 1.925 0 CA-C-N 121.718 2.054 . . . . 0.0 109.733 -174.445 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -110.04 -173.1 2.18 Favored 'General case' 0 C--N 1.348 0.524 1 C-N-CA 133.003 4.521 . . . . 0.0 109.449 173.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.8 tttm 94.91 56.71 0.0 OUTLIER 'General case' 0 C--N 1.36 1.044 0 C-N-CA 127.514 2.325 . . . . 0.0 111.656 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 67.6 tttt 80.26 38.78 0.09 Allowed 'General case' 0 C--N 1.365 1.257 0 C-N-CA 127.593 2.357 . . . . 0.0 110.768 -174.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 15.1 mmt -111.12 146.77 36.24 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-O 122.439 1.114 . . . . 0.0 110.028 -176.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 49.6 ttp180 -112.04 106.56 15.25 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 101.838 -3.393 . . . . 0.0 101.838 173.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.594 HG21 HG11 ' A' ' 72' ' ' VAL . 3.3 p -110.48 144.91 17.62 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.309 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -175.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.561 HG22 ' H ' ' A' ' 112' ' ' GLY . 30.7 mt -114.29 106.61 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.621 0 O-C-N 124.869 1.356 . . . . 0.0 107.968 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.27 83.54 4.25 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 169.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 58.66 44.24 17.68 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 127.083 2.153 . . . . 0.0 116.32 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.561 ' H ' HG22 ' A' ' 109' ' ' ILE . . . 92.87 23.25 25.99 Favored Glycine 0 C--N 1.36 1.862 0 C-N-CA 125.529 1.538 . . . . 0.0 116.324 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -118.69 101.83 8.4 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 125.589 1.555 . . . . 0.0 107.941 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.576 ' H ' HD13 ' A' ' 114' ' ' ILE . 0.1 OUTLIER -85.93 106.51 15.52 Favored 'Isoleucine or valine' 0 C--N 1.377 1.769 0 C-N-CA 127.488 2.315 . . . . 0.0 113.0 -177.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.8 t -118.76 132.89 67.31 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 O-C-N 120.201 -1.562 . . . . 0.0 109.016 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.2 m -99.96 118.37 36.22 Favored 'General case' 0 C--N 1.374 1.671 0 C-N-CA 125.912 1.685 . . . . 0.0 109.121 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -146.57 159.45 43.42 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 116.37 1.989 . . . . 0.0 116.37 -174.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.41 136.57 60.41 Favored 'Isoleucine or valine' 0 C--N 1.362 1.113 0 C-N-CA 129.458 3.103 . . . . 0.0 109.07 -177.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 166.15 -168.51 39.89 Favored Glycine 0 C--N 1.366 2.207 0 N-CA-C 105.374 -3.09 . . . . 0.0 105.374 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -153.52 140.08 12.73 Favored Pre-proline 0 C--N 1.372 1.557 0 CA-C-N 121.354 2.577 . . . . 0.0 112.119 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -93.55 159.69 2.4 Favored 'Trans proline' 0 CA--C 1.549 1.268 1 C-N-CA 126.552 4.834 . . . . 0.0 114.782 176.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 17.0 m -127.88 149.16 32.58 Favored 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 128.65 2.78 . . . . 0.0 107.918 174.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.65 152.32 25.91 Favored 'General case' 0 C--N 1.361 1.1 0 O-C-N 119.07 -2.269 . . . . 0.0 112.165 176.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 43.3 tp -91.39 -36.76 13.63 Favored 'General case' 0 C--N 1.369 1.427 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 70.1 m -112.95 3.8 16.44 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 125.637 1.575 . . . . 0.0 111.007 -178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 86.13 -72.99 2.6 Favored Glycine 0 C--N 1.361 1.945 0 C-N-CA 125.488 1.518 . . . . 0.0 114.846 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.57 102.19 11.82 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 127.093 2.157 . . . . 0.0 111.797 -176.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . 0.317 4.0 mm-40 74.01 -173.3 0.13 Allowed 'General case' 0 C--N 1.367 1.346 0 C-N-CA 127.542 2.337 . . . . 0.0 114.248 -178.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . 0.319 24.8 tt0 77.37 -108.4 0.02 OUTLIER 'General case' 0 C--N 1.354 0.8 0 C-N-CA 127.422 2.289 . . . . 0.0 116.908 178.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 13.0 mt -125.12 143.02 40.18 Favored 'Isoleucine or valine' 0 C--N 1.36 1.052 0 CA-C-O 123.606 1.67 . . . . 0.0 113.266 -171.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 9.7 t -102.72 134.77 45.54 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 127.806 2.442 . . . . 0.0 109.202 166.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -109.41 119.0 38.11 Favored 'General case' 0 C--N 1.362 1.116 0 C-N-CA 129.121 2.968 . . . . 0.0 103.273 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.416 HG23 ' HB ' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -128.41 125.45 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 -177.457 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -128.47 124.82 37.11 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 102.513 -3.143 . . . . 0.0 102.513 169.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.48 150.86 23.16 Favored Glycine 0 C--N 1.355 1.6 0 N-CA-C 108.035 -2.026 . . . . 0.0 108.035 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -126.88 161.19 28.85 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 124.152 0.981 . . . . 0.0 109.388 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -120.92 148.31 44.24 Favored 'General case' 0 C--N 1.358 0.959 0 C-N-CA 124.735 1.214 . . . . 0.0 108.114 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -81.07 60.84 4.4 Favored 'General case' 0 C--N 1.367 1.326 0 O-C-N 119.224 -2.172 . . . . 0.0 112.594 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -92.79 -69.73 1.13 Allowed Glycine 0 C--N 1.365 2.157 0 C-N-CA 127.565 2.507 . . . . 0.0 112.111 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -86.5 5.27 36.19 Favored 'General case' 0 C--N 1.367 1.364 0 CA-C-N 118.722 1.261 . . . . 0.0 114.143 178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -78.19 56.05 1.61 Allowed 'General case' 0 C--N 1.36 1.036 0 C-N-CA 127.435 2.294 . . . . 0.0 114.05 178.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . 0.285 40.8 t 68.37 -56.33 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.245 0 C-N-CA 130.052 3.341 . . . . 0.0 115.56 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.538 0 C-N-CA 124.514 1.054 . . . . 0.0 110.518 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.1 tpt . . . . . 0 N--CA 1.437 -1.113 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -79.27 17.75 0.77 Allowed 'General case' 0 C--N 1.363 1.185 0 C-N-CA 126.559 1.944 . . . . 0.0 115.812 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -111.76 17.74 19.57 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 127.098 2.159 . . . . 0.0 110.198 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.347 10.8 pt-20 54.53 -41.56 0.02 OUTLIER 'General case' 0 C--N 1.367 1.347 1 C-N-CA 132.444 4.297 . . . . 0.0 120.075 174.968 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.493 ' HB3' ' CE1' ' A' ' 95' ' ' TYR . 21.5 m-85 -109.95 42.0 1.6 Allowed 'General case' 0 C--N 1.35 0.627 0 C-N-CA 128.566 2.746 . . . . 0.0 108.047 178.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -149.59 68.05 1.01 Allowed 'General case' 0 C--N 1.35 0.619 0 O-C-N 120.575 -1.328 . . . . 0.0 107.818 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.496 ' HB2' ' CE1' ' A' ' 71' ' ' HIS . 27.4 m-20 -140.98 167.97 20.92 Favored 'General case' 0 CA--C 1.5 -0.95 0 N-CA-C 103.37 -2.826 . . . . 0.0 103.37 -178.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.2 m -96.73 144.24 10.86 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 O-C-N 121.323 -0.86 . . . . 0.0 111.557 -174.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.481 HG22 ' H ' ' A' ' 111' ' ' ARG . 13.1 pt -147.62 160.72 7.91 Favored 'Isoleucine or valine' 0 C--N 1.371 1.527 0 C-N-CA 127.071 2.148 . . . . 0.0 108.624 178.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.1 m -117.64 127.78 54.29 Favored 'General case' 0 C--N 1.385 2.12 0 C-N-CA 124.058 0.943 . . . . 0.0 111.522 -177.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.478 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 77.3 m-85 -106.4 130.0 54.29 Favored 'General case' 0 C--N 1.359 1.008 0 C-N-CA 124.766 1.226 . . . . 0.0 112.991 178.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -129.42 155.63 45.38 Favored 'General case' 0 C--N 1.368 1.372 0 C-N-CA 128.258 2.623 . . . . 0.0 110.547 -175.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 74.3 m -135.68 155.75 49.92 Favored 'General case' 0 C--N 1.366 1.293 0 C-N-CA 126.036 1.734 . . . . 0.0 108.416 173.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -114.92 133.92 55.59 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 127.619 2.368 . . . . 0.0 109.626 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.8 t -104.28 122.96 57.81 Favored 'Isoleucine or valine' 0 C--N 1.364 1.238 0 C-N-CA 126.821 2.048 . . . . 0.0 111.643 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -100.09 62.23 1.12 Allowed 'General case' 0 C--N 1.366 1.292 0 C-N-CA 129.086 2.954 . . . . 0.0 112.368 -178.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -91.11 85.27 5.85 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 120.701 -1.25 . . . . 0.0 112.317 -179.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.1 p -156.43 -137.68 0.06 Allowed 'General case' 0 C--N 1.353 0.738 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -114.87 0.36 13.73 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 126.266 1.826 . . . . 0.0 109.312 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.79 -68.23 2.34 Favored Glycine 0 C--N 1.364 2.129 0 C-N-CA 127.589 2.518 . . . . 0.0 113.068 176.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -86.98 20.66 2.56 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 127.119 2.168 . . . . 0.0 113.416 -178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.62 142.46 4.81 Favored Glycine 0 C--N 1.354 1.542 0 N-CA-C 107.777 -2.129 . . . . 0.0 107.777 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.93 142.86 4.34 Favored Glycine 0 C--N 1.359 1.815 0 CA-C-N 117.613 0.707 . . . . 0.0 111.959 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -123.91 56.31 1.24 Allowed 'General case' 0 C--N 1.358 0.966 0 C-N-CA 124.95 1.3 . . . . 0.0 110.173 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.8 t -154.73 104.87 2.55 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.364 -1.46 . . . . 0.0 107.849 177.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -134.07 153.6 51.7 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 104.374 -2.454 . . . . 0.0 104.374 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -138.8 142.55 38.74 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -174.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -107.5 127.68 53.83 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 128.265 2.626 . . . . 0.0 108.0 175.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.48 164.16 31.8 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 106.286 -1.746 . . . . 0.0 106.286 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -89.54 146.07 24.84 Favored 'General case' 0 C--N 1.364 1.218 0 C-N-CA 124.361 1.065 . . . . 0.0 110.547 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -97.05 -59.81 1.71 Allowed 'General case' 0 C--N 1.36 1.055 0 C-N-CA 123.775 0.83 . . . . 0.0 109.622 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.546 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 4.4 p90 -167.18 171.73 10.59 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.1 t -132.22 132.85 43.5 Favored 'General case' 0 CA--C 1.505 -0.776 0 N-CA-C 101.661 -3.459 . . . . 0.0 101.661 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -152.2 164.04 38.17 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 115.384 1.624 . . . . 0.0 115.384 -177.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -87.82 113.93 23.95 Favored 'General case' 0 C--N 1.372 1.566 0 N-CA-C 105.235 -2.135 . . . . 0.0 105.235 168.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.439 ' HB2' HG23 ' A' ' 96' ' ' THR . . . -169.26 170.5 8.54 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 104.98 -2.23 . . . . 0.0 104.98 -170.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.496 ' CE1' ' HB2' ' A' ' 41' ' ' ASP 0.267 0.1 OUTLIER -146.1 136.21 23.67 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 169.625 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.606 HG22 HG12 ' A' ' 94' ' ' ILE . 8.0 t -108.62 101.54 12.7 Favored 'Isoleucine or valine' 0 C--N 1.365 1.263 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 -176.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -112.85 132.55 22.25 Favored Pre-proline 0 C--N 1.36 1.039 0 O-C-N 118.136 -2.852 . . . . 0.0 112.342 -170.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.04 128.76 13.41 Favored 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 122.799 2.333 . . . . 0.0 111.936 172.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.9 mt -145.73 -61.99 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 106.738 -1.578 . . . . 0.0 106.738 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.84 -18.1 0.23 Allowed 'General case' 0 C--N 1.357 0.929 0 C-N-CA 129.852 3.261 . . . . 0.0 119.677 170.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.38 64.43 0.01 OUTLIER 'General case' 0 C--N 1.35 0.587 1 C-N-CA 132.243 4.217 . . . . 0.0 118.999 -174.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -96.33 -10.05 28.7 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 129.072 2.949 . . . . 0.0 110.276 176.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 82.42 108.58 0.06 Allowed 'General case' 0 C--N 1.368 1.412 0 C-N-CA 128.731 2.812 . . . . 0.0 115.712 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -95.89 7.43 46.38 Favored 'General case' 0 C--N 1.366 1.284 0 O-C-N 120.155 -1.591 . . . . 0.0 112.963 -177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 33.8 t80 124.53 -37.17 0.01 OUTLIER 'General case' 0 C--N 1.358 0.938 1 C-N-CA 132.956 4.503 . . . . 0.0 105.777 -175.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -99.13 125.15 44.6 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 127.188 2.195 . . . . 0.0 111.702 179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.33 -11.84 42.2 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 125.916 1.686 . . . . 0.0 113.269 -176.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -91.78 141.75 28.33 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 126.066 1.746 . . . . 0.0 110.785 178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.0 tp60 -100.37 157.42 16.64 Favored 'General case' 0 C--N 1.359 0.981 0 O-C-N 120.863 -1.148 . . . . 0.0 109.732 176.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 40.4 mt -119.38 51.28 1.16 Allowed 'General case' 0 C--N 1.359 0.979 0 C-N-CA 125.64 1.576 . . . . 0.0 110.214 -177.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 69.18 -52.17 0.59 Allowed 'General case' 0 C--N 1.358 0.956 0 N-CA-C 119.236 3.05 . . . . 0.0 119.236 176.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 28.2 m -78.73 131.71 66.81 Favored Pre-proline 0 C--N 1.363 1.184 0 C-N-CA 128.171 2.589 . . . . 0.0 111.764 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.97 155.17 53.14 Favored 'Trans proline' 0 C--N 1.366 1.48 0 C-N-CA 125.075 3.85 . . . . 0.0 114.886 -175.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 40.0 mm -114.13 -20.19 6.24 Favored 'Isoleucine or valine' 0 C--N 1.358 0.937 0 C-N-CA 124.601 1.16 . . . . 0.0 108.935 -178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.51 -176.94 38.08 Favored Glycine 0 CA--C 1.479 -2.212 0 O-C-N 118.837 -2.415 . . . . 0.0 111.42 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.406 ' CD1' HG12 ' A' ' 72' ' ' VAL . 16.5 m-85 -123.09 126.86 47.87 Favored 'General case' 0 CA--C 1.504 -0.796 0 C-N-CA 125.101 1.36 . . . . 0.0 111.486 -178.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -109.3 119.56 39.85 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 103.219 -2.882 . . . . 0.0 103.219 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.606 HG12 HG22 ' A' ' 72' ' ' VAL . 2.7 mp -129.47 148.88 33.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 O-C-N 119.895 -1.753 . . . . 0.0 112.176 -170.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.493 ' CE1' ' HB3' ' A' ' 39' ' ' PHE 0.267 0.0 OUTLIER -129.39 139.55 51.64 Favored 'General case' 0 C--N 1.363 1.163 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 168.524 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.444 HG21 ' HB2' ' A' ' 99' ' ' ASP . 52.4 m -139.6 138.12 19.72 Favored Pre-proline 0 C--N 1.353 0.734 0 N-CA-C 101.392 -3.559 . . . . 0.0 101.392 170.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.54 125.04 12.26 Favored 'Trans proline' 0 C--N 1.365 1.404 0 CA-C-N 126.861 3.486 . . . . 0.0 108.202 169.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.47 ' CE1' ' HA ' ' A' ' 128' ' ' GLN 0.416 0.5 OUTLIER 34.99 17.58 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.583 2 C-N-CA 135.516 5.526 . . . . 0.0 122.006 -170.702 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.444 ' HB2' HG21 ' A' ' 96' ' ' THR . 56.5 m-20 -103.54 128.58 50.74 Favored 'General case' 0 C--N 1.36 1.05 0 O-C-N 119.567 -1.958 . . . . 0.0 109.936 176.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -110.31 23.0 14.85 Favored 'General case' 0 C--N 1.353 0.742 0 C-N-CA 126.011 1.724 . . . . 0.0 113.327 -174.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.546 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 36.3 mmt180 -94.45 -50.08 5.38 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 116.691 2.108 . . . . 0.0 116.691 -171.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.456 HD13 HG13 ' A' ' 133' ' ' ILE . 4.1 mp -0.9 -71.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.379 1.862 1 C-N-CA 132.57 4.348 . . . . 0.0 121.372 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -124.59 112.1 16.43 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 126.317 1.847 . . . . 0.0 106.767 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 80.4 tttt 178.22 56.03 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.268 62.8 mttp 73.37 50.79 0.13 Allowed 'General case' 0 C--N 1.364 1.198 0 C-N-CA 128.635 2.774 . . . . 0.0 111.901 -175.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 23.5 ptp -160.81 -172.03 3.33 Favored 'General case' 0 C--N 1.361 1.102 0 O-C-N 121.989 -0.444 . . . . 0.0 111.913 -174.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -137.08 139.7 41.48 Favored 'General case' 0 C--N 1.362 1.138 0 CA-C-O 123.952 1.834 . . . . 0.0 115.684 -174.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.436 HG11 HG21 ' A' ' 72' ' ' VAL . 7.6 p -115.25 137.22 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.878 0 CA-C-O 123.411 1.577 . . . . 0.0 109.082 176.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.1 tt -102.43 105.82 18.79 Favored 'Isoleucine or valine' 0 C--N 1.364 1.204 0 N-CA-C 101.036 -3.69 . . . . 0.0 101.036 163.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -96.82 106.78 19.15 Favored 'General case' 0 C--N 1.363 1.181 0 C-N-CA 129.555 3.142 . . . . 0.0 105.399 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.481 ' H ' HG22 ' A' ' 43' ' ' ILE . 2.4 tpm_? 45.21 32.99 1.05 Allowed 'General case' 0 CA--C 1.557 1.234 0 N-CA-C 118.449 2.759 . . . . 0.0 118.449 178.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.24 4.71 64.29 Favored Glycine 0 C--N 1.367 2.281 0 C-N-CA 127.622 2.535 . . . . 0.0 116.54 -171.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -110.16 118.42 36.32 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-N 119.986 1.893 . . . . 0.0 109.139 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 10.7 tt -92.61 106.47 17.88 Favored 'Isoleucine or valine' 0 C--N 1.365 1.262 0 CA-C-O 123.709 1.718 . . . . 0.0 111.417 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.99 164.08 36.25 Favored 'Isoleucine or valine' 0 C--N 1.359 0.986 0 C-N-CA 129.379 3.072 . . . . 0.0 113.569 -173.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . 0.68 44.7 p 120.85 -118.77 0.0 OUTLIER 'General case' 0 C--N 1.376 1.752 1 N-CA-C 122.94 4.422 . . . . 0.0 122.94 161.701 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . 0.605 2.7 m-85 90.59 -80.75 0.01 OUTLIER 'General case' 0 C--N 1.355 0.824 0 C-N-CA 129.378 3.071 . . . . 0.0 118.597 -175.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 10.9 mm -96.52 108.62 21.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 CA-C-N 122.606 2.457 . . . . 0.0 115.24 -175.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.62 174.85 21.6 Favored Glycine 0 C--N 1.368 2.354 0 C-N-CA 125.22 1.39 . . . . 0.0 114.079 173.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -135.01 134.54 21.8 Favored Pre-proline 0 C--N 1.371 1.521 0 C-N-CA 126.877 2.071 . . . . 0.0 112.62 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -91.4 141.43 2.77 Favored 'Trans proline' 0 C--N 1.367 1.548 0 C-N-CA 124.858 3.705 . . . . 0.0 116.835 -176.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.1 t -132.01 144.26 37.71 Favored 'Isoleucine or valine' 0 C--N 1.376 1.735 0 C-N-CA 127.811 2.444 . . . . 0.0 107.878 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.12 108.14 19.74 Favored 'General case' 0 C--N 1.366 1.304 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 174.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.24 -28.54 63.21 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 125.78 1.632 . . . . 0.0 115.178 -167.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 34.4 t -112.41 33.74 4.73 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 127.142 2.177 . . . . 0.0 109.025 174.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 61.23 -56.21 0.02 OUTLIER Glycine 0 C--N 1.366 2.218 0 N-CA-C 121.646 3.418 . . . . 0.0 121.646 173.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.6 mt -101.94 -68.42 0.82 Allowed 'General case' 0 C--N 1.356 0.89 0 C-N-CA 126.316 1.847 . . . . 0.0 112.981 -174.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.47 ' HA ' ' CE1' ' A' ' 98' ' ' TYR . 0.0 OUTLIER -143.39 175.1 10.17 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 120.913 -1.117 . . . . 0.0 109.617 -178.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . 0.371 14.7 tp10 94.61 -77.87 0.0 OUTLIER 'General case' 0 C--N 1.359 1.018 0 C-N-CA 128.652 2.781 . . . . 0.0 115.877 178.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.4 mm -106.47 125.51 62.26 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 O-C-N 119.385 -2.072 . . . . 0.0 112.871 -177.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 78.7 m -106.82 135.9 47.58 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 125.309 1.443 . . . . 0.0 108.015 171.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -121.29 129.26 53.03 Favored 'General case' 0 C--N 1.371 1.537 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 174.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.456 HG13 HD13 ' A' ' 102' ' ' ILE . 45.6 mm -117.05 137.98 49.21 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 -178.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -128.32 130.42 47.78 Favored 'General case' 0 C--N 1.359 1.017 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 172.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.96 161.63 28.47 Favored Glycine 0 C--N 1.357 1.736 0 N-CA-C 107.639 -2.184 . . . . 0.0 107.639 174.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -144.97 165.13 29.03 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 119.545 1.673 . . . . 0.0 111.721 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -118.55 119.45 34.56 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 124.74 1.216 . . . . 0.0 110.639 -178.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 79.89 110.32 0.07 Allowed 'General case' 0 C--N 1.368 1.403 0 C-N-CA 128.061 2.544 . . . . 0.0 113.939 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 123.79 -45.25 1.2 Allowed Glycine 0 C--N 1.364 2.102 0 O-C-N 120.962 -1.086 . . . . 0.0 111.783 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -78.41 56.74 1.8 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 116.942 2.201 . . . . 0.0 116.942 -176.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -140.81 47.88 1.73 Allowed 'General case' 0 C--N 1.351 0.668 0 C-N-CA 126.142 1.777 . . . . 0.0 107.323 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 14.2 m -79.66 61.75 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.861 0 C-N-CA 127.804 2.442 . . . . 0.0 114.318 -178.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 1.808 0 C-N-CA 126.223 1.868 . . . . 0.0 111.482 179.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.0 ptt? . . . . . 0 N--CA 1.443 -0.807 0 CA-C-O 121.778 0.799 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -158.94 154.83 26.54 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 104.166 -2.531 . . . . 0.0 104.166 178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.467 ' H ' ' HB3' ' A' ' 69' ' ' ALA . 65.8 mm-40 -134.03 -80.23 0.46 Allowed 'General case' 0 C--N 1.35 0.626 0 C-N-CA 125.244 1.418 . . . . 0.0 107.701 177.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -160.96 152.79 19.69 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . 0.332 9.0 t80 112.5 -174.13 0.0 OUTLIER 'General case' 0 C--N 1.366 1.314 0 C-N-CA 129.85 3.26 . . . . 0.0 114.165 172.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -74.48 -41.7 60.3 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 130.627 3.571 . . . . 0.0 118.398 -173.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -123.86 151.05 43.89 Favored 'General case' 0 C--N 1.361 1.084 0 O-C-N 120.802 -1.187 . . . . 0.0 113.262 -174.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.5 t -97.37 115.69 37.78 Favored 'Isoleucine or valine' 0 C--N 1.376 1.749 0 C-N-CA 127.357 2.263 . . . . 0.0 104.985 174.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.445 ' CG2' HH12 ' A' ' 101' ' ' ARG 0.254 24.3 mt -111.77 166.83 5.79 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 O-C-N 120.15 -1.594 . . . . 0.0 109.898 -171.359 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.5 m -122.08 106.9 11.6 Favored 'General case' 0 C--N 1.372 1.546 0 O-C-N 119.92 -1.738 . . . . 0.0 113.133 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -82.06 139.22 34.59 Favored 'General case' 0 C--N 1.37 1.469 0 O-C-N 120.602 -1.311 . . . . 0.0 113.571 165.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -131.68 148.83 52.62 Favored 'General case' 0 C--N 1.381 1.974 0 C-N-CA 127.456 2.303 . . . . 0.0 109.432 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.3 t -121.93 166.14 14.88 Favored 'General case' 0 C--N 1.363 1.174 0 O-C-N 119.802 -1.811 . . . . 0.0 110.39 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -102.84 117.78 35.38 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 126.592 1.957 . . . . 0.0 109.18 -176.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -141.48 147.02 22.53 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 C-N-CA 124.186 0.994 . . . . 0.0 110.77 -173.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -82.79 148.43 27.81 Favored 'General case' 0 C--N 1.365 1.274 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -153.15 165.98 33.93 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 128.063 2.545 . . . . 0.0 108.202 -177.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.6 m -108.65 104.13 13.37 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.948 1.299 . . . . 0.0 110.798 176.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -84.33 -22.59 30.55 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 127.373 2.269 . . . . 0.0 110.85 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -152.13 161.58 29.43 Favored Glycine 0 C--N 1.356 1.69 0 C-N-CA 127.924 2.678 . . . . 0.0 108.113 174.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -74.1 71.83 1.65 Allowed 'General case' 0 C--N 1.359 0.984 0 C-N-CA 128.274 2.63 . . . . 0.0 115.185 -176.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.82 6.66 18.83 Favored Glycine 0 C--N 1.358 1.795 0 C-N-CA 126.061 1.791 . . . . 0.0 111.303 -174.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -115.44 82.99 0.32 Allowed Glycine 0 C--N 1.358 1.802 0 C-N-CA 127.542 2.496 . . . . 0.0 108.524 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -100.57 139.75 35.81 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -174.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 30.8 p -122.33 160.76 24.69 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 127.16 2.184 . . . . 0.0 108.199 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -113.22 127.38 56.15 Favored 'General case' 0 C--N 1.365 1.239 0 N-CA-C 103.119 -2.919 . . . . 0.0 103.119 170.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -122.09 156.04 34.43 Favored 'General case' 0 C--N 1.349 0.577 0 O-C-N 120.832 -1.167 . . . . 0.0 110.393 -173.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -89.9 112.31 23.64 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 127.612 2.365 . . . . 0.0 109.31 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.4 t -124.06 147.65 28.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.772 0 C-N-CA 126.486 1.914 . . . . 0.0 107.533 -173.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -57.36 127.39 31.77 Favored 'General case' 0 C--N 1.37 1.459 0 C-N-CA 128.443 2.697 . . . . 0.0 113.031 177.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -99.3 -59.31 1.75 Allowed 'General case' 0 C--N 1.359 0.99 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 -178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.449 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 41.8 p90 -163.42 164.87 24.43 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 t -126.88 132.8 50.84 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.72 ' HB3' ' HE ' ' A' ' 101' ' ' ARG . . . -156.72 165.55 35.92 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.66 -176.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.467 ' HB3' ' H ' ' A' ' 37' ' ' GLU . . . -88.8 139.55 30.35 Favored 'General case' 0 C--N 1.356 0.88 0 C-N-CA 124.87 1.268 . . . . 0.0 111.93 177.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.51 ' HB2' ' CD ' ' A' ' 101' ' ' ARG . . . -172.93 170.73 4.44 Favored 'General case' 0 CA--C 1.501 -0.909 0 CA-C-O 122.503 1.144 . . . . 0.0 108.394 -172.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -103.06 107.17 17.87 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 103.885 -2.635 . . . . 0.0 103.885 166.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.45 HG21 HG21 ' A' ' 108' ' ' VAL . 3.1 t -116.18 106.44 20.36 Favored 'Isoleucine or valine' 0 C--N 1.365 1.264 1 N-CA-C 96.75 -5.278 . . . . 0.0 96.75 175.299 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -130.75 162.71 53.46 Favored Pre-proline 0 C--N 1.361 1.105 0 O-C-N 119.186 -2.197 . . . . 0.0 111.105 -171.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.2 144.28 46.09 Favored 'Trans proline' 0 C--N 1.358 1.053 0 C-N-CA 124.375 3.384 . . . . 0.0 111.931 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.1 tt -69.4 137.79 23.51 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 C-N-CA 127.562 2.345 . . . . 0.0 115.338 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 76.6 p -142.94 -119.03 0.1 Allowed 'General case' 0 C--N 1.352 0.704 0 O-C-N 120.611 -1.306 . . . . 0.0 111.387 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -167.66 178.61 5.24 Favored 'General case' 0 C--N 1.357 0.899 0 C-N-CA 125.881 1.672 . . . . 0.0 108.74 -176.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -72.67 -20.23 61.28 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 127.674 2.389 . . . . 0.0 117.161 -177.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -96.4 117.66 31.31 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 125.949 1.7 . . . . 0.0 108.649 177.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -94.92 7.36 46.27 Favored 'General case' 0 C--N 1.365 1.255 0 O-C-N 120.319 -1.488 . . . . 0.0 112.184 -175.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -79.17 47.02 0.75 Allowed 'General case' 0 C--N 1.356 0.864 0 C-N-CA 128.129 2.572 . . . . 0.0 112.189 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -118.21 26.51 9.58 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 127.232 2.213 . . . . 0.0 110.49 -176.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.08 -13.18 61.68 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 117.792 2.515 . . . . 0.0 117.792 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -145.43 30.59 1.11 Allowed 'General case' 0 C--N 1.355 0.842 0 N-CA-C 106.927 -1.508 . . . . 0.0 106.927 179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.02 171.36 7.59 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 126.939 2.095 . . . . 0.0 109.669 -174.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.0 mt -97.49 72.04 2.34 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 119.738 -1.851 . . . . 0.0 112.728 -175.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -94.94 97.85 10.28 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 125.309 1.443 . . . . 0.0 111.127 177.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.8 p -110.54 140.77 22.87 Favored Pre-proline 0 C--N 1.357 0.93 0 C-N-CA 125.787 1.635 . . . . 0.0 108.112 177.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -75.53 130.42 12.73 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 124.784 3.656 . . . . 0.0 114.612 -176.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.2 tp -116.93 1.37 8.04 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 C-N-CA 126.203 1.801 . . . . 0.0 109.303 177.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 179.91 -175.84 47.02 Favored Glycine 0 C--N 1.361 1.947 0 O-C-N 119.985 -1.697 . . . . 0.0 109.608 176.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -118.15 156.93 27.86 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 124.989 2.328 . . . . 0.0 107.59 174.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -125.26 120.92 32.57 Favored 'General case' 0 N--CA 1.428 -1.56 0 C-N-CA 130.717 3.607 . . . . 0.0 103.889 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.541 HG23 HG23 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -125.66 141.02 46.73 Favored 'Isoleucine or valine' 0 C--N 1.347 0.479 0 O-C-N 119.528 -1.982 . . . . 0.0 109.372 176.285 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -129.16 139.75 51.8 Favored 'General case' 0 C--N 1.363 1.184 0 N-CA-C 104.385 -2.45 . . . . 0.0 104.385 165.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.94 159.04 68.63 Favored Pre-proline 0 C--O 1.242 0.686 1 N-CA-C 97.857 -4.868 . . . . 0.0 97.857 171.759 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -67.24 124.84 12.64 Favored 'Trans proline' 0 C--N 1.362 1.268 0 C-N-CA 123.729 2.953 . . . . 0.0 109.179 172.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.495 ' H ' ' HA ' ' A' ' 130' ' ' ILE 0.329 0.1 OUTLIER 51.26 -166.99 0.04 OUTLIER 'General case' 0 N--CA 1.449 -0.508 1 C-N-CA 133.322 4.649 . . . . 0.0 116.804 -171.133 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -80.96 90.65 5.96 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 129.37 3.068 . . . . 0.0 107.498 174.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -137.91 -67.7 0.47 Allowed 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 121.028 -1.045 . . . . 0.0 108.499 -172.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.72 ' HE ' ' HB3' ' A' ' 68' ' ' ALA . 0.1 OUTLIER -97.78 -53.73 3.32 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 114.979 1.474 . . . . 0.0 114.979 -171.696 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -6.89 109.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.246 1 N-CA-C 124.154 4.872 . . . . 0.0 124.154 170.678 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -105.59 163.94 12.28 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 119.996 -1.69 . . . . 0.0 113.6 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -112.35 -106.69 0.37 Allowed 'General case' 0 C--N 1.364 1.227 0 C-N-CA 127.227 2.211 . . . . 0.0 110.845 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -79.44 86.91 5.09 Favored 'General case' 0 C--N 1.369 1.417 0 O-C-N 119.288 -2.133 . . . . 0.0 109.357 176.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.45 -169.09 1.5 Allowed 'General case' 0 C--N 1.356 0.852 0 CA-C-N 113.868 -1.515 . . . . 0.0 106.954 -162.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 28.0 ptt180 -139.92 164.41 30.06 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 123.107 1.432 . . . . 0.0 109.567 173.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.45 HG21 HG21 ' A' ' 72' ' ' VAL . 13.0 p -137.87 141.31 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.222 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 178.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 38.1 mm -109.4 105.4 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.248 0 N-CA-C 102.151 -3.277 . . . . 0.0 102.151 170.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -96.35 102.57 14.37 Favored 'General case' 0 N--CA 1.434 -1.273 0 C-N-CA 129.025 2.93 . . . . 0.0 108.464 175.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 52.47 32.84 12.06 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.942 2.497 . . . . 0.0 117.262 177.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.04 -1.04 69.9 Favored Glycine 0 C--N 1.362 2.01 0 C-N-CA 126.812 2.149 . . . . 0.0 116.652 -170.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -92.25 125.1 36.77 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 120.062 1.931 . . . . 0.0 111.662 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 21.0 pt -80.51 106.72 12.03 Favored 'Isoleucine or valine' 0 C--N 1.367 1.331 0 C-N-CA 128.676 2.79 . . . . 0.0 112.175 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 43.3 t -128.08 102.42 8.55 Favored 'Isoleucine or valine' 0 C--N 1.36 1.035 0 C-N-CA 125.371 1.469 . . . . 0.0 108.666 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 45.1 m -94.52 128.43 41.11 Favored 'General case' 0 C--N 1.379 1.855 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 173.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -141.56 158.98 43.15 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 -176.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 6.1 pt -124.62 122.69 64.35 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 CA-C-N 114.366 -1.288 . . . . 0.0 107.722 173.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -170.93 -166.86 30.44 Favored Glycine 0 C--N 1.362 1.973 0 N-CA-C 110.174 -1.171 . . . . 0.0 110.174 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -154.79 146.23 16.78 Favored Pre-proline 0 C--N 1.363 1.166 0 C-N-CA 125.579 1.551 . . . . 0.0 108.673 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -90.03 158.41 4.87 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 124.148 3.232 . . . . 0.0 113.826 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.4 p -132.23 136.89 55.69 Favored 'Isoleucine or valine' 0 C--N 1.363 1.17 0 C-N-CA 125.91 1.684 . . . . 0.0 109.232 173.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -101.34 149.29 24.19 Favored 'General case' 0 C--N 1.364 1.216 0 C-N-CA 125.706 1.602 . . . . 0.0 112.156 177.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 28.0 mt -84.33 -2.99 57.97 Favored 'General case' 0 C--N 1.365 1.241 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . 0.394 91.6 p 114.4 -123.24 0.0 OUTLIER 'General case' 0 C--N 1.359 0.997 0 C-N-CA 131.535 3.934 . . . . 0.0 111.353 176.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -124.69 164.33 18.22 Favored Glycine 0 C--N 1.353 1.495 0 N-CA-C 104.375 -3.49 . . . . 0.0 104.375 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 44.2 tp 80.02 -53.75 0.38 Allowed 'General case' 0 C--N 1.362 1.13 0 C-N-CA 126.606 1.962 . . . . 0.0 111.019 -175.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -85.52 91.87 8.36 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 127.638 2.375 . . . . 0.0 108.052 172.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -78.39 66.13 3.87 Favored 'General case' 0 C--N 1.357 0.93 0 O-C-N 120.07 -1.644 . . . . 0.0 112.442 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.495 ' HA ' ' H ' ' A' ' 98' ' ' TYR . 20.4 tt -150.39 119.06 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-O 123.048 1.404 . . . . 0.0 112.208 -178.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . 0.286 67.9 p -99.37 141.88 31.58 Favored 'General case' 0 C--N 1.368 1.412 0 CA-C-O 123.753 1.739 . . . . 0.0 109.053 161.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -120.63 137.59 54.36 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 111.177 -2.738 . . . . 0.0 105.017 171.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.541 HG23 HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -132.81 144.29 37.09 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-O 122.995 1.379 . . . . 0.0 108.225 178.257 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.28 136.43 51.01 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 127.361 2.265 . . . . 0.0 105.41 173.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.28 161.17 28.31 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 106.525 -2.63 . . . . 0.0 106.525 172.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -126.25 158.07 36.66 Favored 'General case' 0 C--N 1.36 1.051 0 CA-C-N 119.417 1.609 . . . . 0.0 111.733 -175.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -119.24 113.83 21.47 Favored 'General case' 0 C--N 1.355 0.847 0 N-CA-C 104.97 -2.233 . . . . 0.0 104.97 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -163.52 -52.25 0.04 OUTLIER 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 -176.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -127.05 73.64 0.44 Allowed Glycine 0 C--N 1.357 1.713 0 C-N-CA 126.307 1.908 . . . . 0.0 110.074 177.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -150.8 -78.01 0.13 Allowed 'General case' 0 C--N 1.35 0.597 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 65.34 -82.05 0.03 OUTLIER 'General case' 0 C--N 1.363 1.156 0 C-N-CA 128.768 2.827 . . . . 0.0 115.825 176.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 29.9 m -111.23 -15.12 10.27 Favored 'Isoleucine or valine' 0 C--N 1.348 0.534 0 C-N-CA 126.137 1.775 . . . . 0.0 110.956 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.366 2.229 0 C-N-CA 125.174 1.369 . . . . 0.0 111.405 179.629 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 96.3 mmm . . . . . 0 N--CA 1.441 -0.912 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -129.23 150.37 50.64 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 125.1 1.36 . . . . 0.0 109.497 -178.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -93.43 60.17 3.07 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 125.278 1.431 . . . . 0.0 111.267 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.312 47.6 mm-40 80.97 -81.99 0.02 OUTLIER 'General case' 0 C--N 1.361 1.075 0 C-N-CA 129.51 3.124 . . . . 0.0 114.661 -179.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -100.07 -71.52 0.7 Allowed 'General case' 0 C--N 1.354 0.801 0 C-N-CA 124.568 1.147 . . . . 0.0 110.983 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 58.49 40.87 23.48 Favored 'General case' 0 C--N 1.358 0.964 0 C-N-CA 128.982 2.913 . . . . 0.0 116.932 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -105.9 159.78 15.77 Favored 'General case' 0 C--N 1.366 1.285 0 O-C-N 120.627 -1.296 . . . . 0.0 111.026 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.0 m -97.18 119.77 45.66 Favored 'Isoleucine or valine' 0 C--N 1.366 1.302 0 CA-C-O 124.611 2.148 . . . . 0.0 112.367 -174.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.28 163.47 20.62 Favored 'Isoleucine or valine' 0 C--N 1.36 1.043 0 C-N-CA 126.984 2.114 . . . . 0.0 112.465 -173.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.5 m -119.17 112.89 20.07 Favored 'General case' 0 C--N 1.379 1.851 0 C-N-CA 123.866 0.866 . . . . 0.0 110.527 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.473 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 86.8 m-85 -102.16 128.25 48.74 Favored 'General case' 0 C--N 1.36 1.05 0 O-C-N 121.501 -0.749 . . . . 0.0 111.192 178.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -121.69 164.88 16.63 Favored 'General case' 0 C--N 1.365 1.261 0 C-N-CA 127.329 2.252 . . . . 0.0 111.48 -176.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 9.8 t -147.68 164.31 33.94 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.009 1.723 . . . . 0.0 108.914 178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -121.98 129.99 52.94 Favored 'General case' 0 C--N 1.364 1.198 0 C-N-CA 125.908 1.683 . . . . 0.0 110.231 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.2 t -107.37 136.61 41.97 Favored 'Isoleucine or valine' 0 C--N 1.361 1.104 0 C-N-CA 126.57 1.948 . . . . 0.0 108.628 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -153.82 178.1 10.28 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -107.87 1.36 22.68 Favored 'General case' 0 C--N 1.371 1.515 0 C-N-CA 127.883 2.473 . . . . 0.0 111.168 -176.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.4 p 120.92 -74.5 0.0 OUTLIER 'General case' 0 C--N 1.357 0.919 1 C-N-CA 132.845 4.458 . . . . 0.0 102.137 -169.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.4 m120 65.53 -128.92 0.29 Allowed 'General case' 0 C--N 1.362 1.144 0 C-N-CA 131.243 3.817 . . . . 0.0 115.704 173.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.14 -65.39 3.8 Favored Glycine 0 C--N 1.364 2.12 0 C-N-CA 125.999 1.762 . . . . 0.0 114.866 177.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -92.04 -10.55 38.73 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.274 2.23 . . . . 0.0 111.547 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -121.96 89.86 0.44 Allowed Glycine 0 C--N 1.353 1.518 0 N-CA-C 107.023 -2.431 . . . . 0.0 107.023 174.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.73 63.04 2.36 Favored Glycine 0 C--N 1.363 2.076 0 C-N-CA 125.183 1.373 . . . . 0.0 115.353 -177.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -87.09 -76.97 0.34 Allowed 'General case' 0 C--N 1.355 0.839 0 C-N-CA 126.381 1.872 . . . . 0.0 113.429 -177.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.3 t -154.48 139.85 17.69 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.279 -1.513 . . . . 0.0 109.591 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -134.8 161.41 35.28 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 127.147 2.179 . . . . 0.0 106.092 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -146.89 134.98 21.55 Favored 'General case' 0 C--N 1.366 1.3 0 CA-C-N 118.586 0.63 . . . . 0.0 112.457 177.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -98.83 125.03 44.1 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.591 2.356 . . . . 0.0 108.675 174.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.9 m -137.28 169.76 18.94 Favored 'Isoleucine or valine' 0 C--N 1.363 1.158 0 C-N-CA 125.343 1.457 . . . . 0.0 108.68 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -95.55 144.29 26.14 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 124.326 1.05 . . . . 0.0 109.6 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -91.18 -53.66 4.27 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 125.171 1.388 . . . . 0.0 110.424 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.473 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 3.2 p90 -167.94 172.88 8.59 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 105.998 -1.853 . . . . 0.0 105.998 -178.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.5 p -132.82 132.33 42.05 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 100.295 -3.965 . . . . 0.0 100.295 178.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.28 164.83 36.06 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 -174.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.94 114.42 21.21 Favored 'General case' 0 C--N 1.371 1.518 0 N-CA-C 106.344 -1.724 . . . . 0.0 106.344 167.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -166.57 142.09 4.49 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 121.29 -0.881 . . . . 0.0 110.346 -164.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -116.31 120.31 38.5 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.249 -1.532 . . . . 0.0 110.92 175.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.664 HG12 ' CD2' ' A' ' 92' ' ' TYR . 59.2 t -115.76 104.38 16.66 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 N-CA-C 102.686 -3.079 . . . . 0.0 102.686 173.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -119.5 152.19 52.64 Favored Pre-proline 0 C--N 1.366 1.31 0 CA-C-N 122.371 2.351 . . . . 0.0 112.695 -176.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -71.6 147.69 51.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.467 3.444 . . . . 0.0 115.302 -177.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -89.52 -7.66 10.82 Favored 'Isoleucine or valine' 0 C--N 1.367 1.348 0 C-N-CA 127.558 2.343 . . . . 0.0 112.635 -178.379 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.9 t -165.13 161.37 19.51 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 119.601 -1.937 . . . . 0.0 105.925 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -110.71 7.02 22.03 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 127.618 2.367 . . . . 0.0 111.883 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -45.73 -18.05 0.04 OUTLIER 'General case' 0 C--N 1.364 1.2 1 N-CA-C 123.215 4.524 . . . . 0.0 123.215 -172.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -99.09 95.04 6.84 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 121.198 1.817 . . . . 0.0 111.93 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -92.75 7.08 45.14 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.527 1.931 . . . . 0.0 114.133 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -129.77 71.61 1.45 Allowed 'General case' 0 C--N 1.353 0.719 0 C-N-CA 126.925 2.09 . . . . 0.0 106.498 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 93.28 104.78 0.02 OUTLIER 'General case' 0 C--N 1.366 1.318 0 C-N-CA 129.851 3.26 . . . . 0.0 106.812 -176.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -50.53 -46.54 57.42 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 118.753 2.871 . . . . 0.0 118.753 -172.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -168.36 107.04 0.49 Allowed 'General case' 0 C--N 1.357 0.924 0 C-N-CA 125.959 1.704 . . . . 0.0 107.421 176.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -150.35 156.41 41.46 Favored 'General case' 0 C--N 1.359 0.978 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 13.8 tp -57.52 41.27 0.0 OUTLIER 'General case' 0 C--N 1.373 1.606 1 C-N-CA 133.512 4.725 . . . . 0.0 118.284 -174.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -138.92 -36.19 0.55 Allowed 'General case' 0 N--CA 1.432 -1.331 0 C-N-CA 130.689 3.595 . . . . 0.0 107.605 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 51.7 m -159.23 107.35 1.53 Allowed Pre-proline 0 C--N 1.37 1.495 0 O-C-N 118.878 -2.389 . . . . 0.0 110.389 177.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -80.63 156.39 21.38 Favored 'Trans proline' 0 C--N 1.368 1.564 1 C-N-CA 127.077 5.184 . . . . 0.0 113.13 170.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 16.4 mt -86.93 -104.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.368 1.381 0 CA-C-N 121.296 1.862 . . . . 0.0 110.183 175.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -163.05 145.07 10.15 Favored Glycine 0 C--N 1.351 1.392 0 N-CA-C 104.974 -3.251 . . . . 0.0 104.974 175.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.664 ' CD2' HG12 ' A' ' 72' ' ' VAL . 17.2 m-85 -119.03 137.44 53.54 Favored 'General case' 0 C--N 1.356 0.864 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -177.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -115.86 122.95 46.9 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 125.364 1.466 . . . . 0.0 107.675 174.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.522 HG13 ' H ' ' A' ' 133' ' ' ILE . 0.6 OUTLIER -115.08 143.57 24.54 Favored 'Isoleucine or valine' 0 C--N 1.357 0.892 0 O-C-N 119.992 -1.692 . . . . 0.0 111.221 -174.136 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.41 115.41 20.24 Favored 'General case' 0 C--N 1.366 1.322 0 N-CA-C 101.461 -3.533 . . . . 0.0 101.461 171.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.7 m -141.45 148.31 50.02 Favored Pre-proline 0 C--N 1.355 0.84 0 O-C-N 118.56 -2.588 . . . . 0.0 107.86 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.83 129.35 17.37 Favored 'Trans proline' 0 C--N 1.373 1.819 0 C-N-CA 124.619 3.546 . . . . 0.0 111.344 171.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.383 1.6 t80 20.69 17.41 0.0 OUTLIER 'General case' 0 C--N 1.365 1.247 2 C-N-CA 136.04 5.736 . . . . 0.0 122.935 -172.843 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -100.69 134.68 43.29 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 126.422 1.889 . . . . 0.0 111.391 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.56 23.39 9.61 Favored 'General case' 0 C--N 1.354 0.783 0 C-N-CA 126.646 1.978 . . . . 0.0 108.501 177.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.4 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 92.2 mtt180 -97.19 -3.46 40.87 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.986 2.115 . . . . 0.0 114.554 -172.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.46 ' H ' HD12 ' A' ' 102' ' ' ILE . 4.4 mp -58.68 -72.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.37 1.46 0 C-N-CA 130.192 3.397 . . . . 0.0 114.539 -178.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.54 ' HB2' HD11 ' A' ' 133' ' ' ILE . 18.4 m-20 -130.37 166.49 20.32 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 177.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.1 tptm 131.59 55.92 0.0 OUTLIER 'General case' 0 C--N 1.352 0.694 0 C-N-CA 130.946 3.698 . . . . 0.0 105.481 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.275 72.7 tttt 89.95 50.74 0.01 OUTLIER 'General case' 0 C--N 1.365 1.248 0 C-N-CA 128.541 2.736 . . . . 0.0 114.582 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 11.4 ptp -155.78 175.23 14.19 Favored 'General case' 0 C--N 1.373 1.587 0 O-C-N 120.643 -1.286 . . . . 0.0 113.997 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -104.76 123.28 47.38 Favored 'General case' 0 C--N 1.378 1.82 0 O-C-N 119.831 -1.793 . . . . 0.0 112.433 -175.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' A' ' 115' ' ' VAL . 54.2 t -115.83 124.85 72.65 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 O-C-N 120.327 -1.483 . . . . 0.0 111.946 -172.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 35.1 mm -112.98 107.06 22.02 Favored 'Isoleucine or valine' 0 C--N 1.378 1.81 0 CA-C-O 122.087 0.946 . . . . 0.0 111.428 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -95.66 91.53 6.16 Favored 'General case' 0 C--N 1.368 1.396 0 C-N-CA 129.728 3.211 . . . . 0.0 109.28 171.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 48.06 36.08 5.97 Favored 'General case' 0 C--N 1.366 1.315 0 C-N-CA 128.761 2.824 . . . . 0.0 116.881 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.74 -1.66 71.84 Favored Glycine 0 C--N 1.359 1.831 0 C-N-CA 125.907 1.718 . . . . 0.0 117.001 -170.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.38 127.95 38.05 Favored 'General case' 0 C--N 1.367 1.333 0 CA-C-N 120.278 2.039 . . . . 0.0 110.276 177.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.0 mm -84.04 120.8 35.58 Favored 'Isoleucine or valine' 0 C--N 1.366 1.291 0 C-N-CA 126.578 1.951 . . . . 0.0 113.908 -175.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' A' ' 108' ' ' VAL . 59.9 t -115.77 128.32 73.06 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 N-CA-C 104.651 -2.351 . . . . 0.0 104.651 174.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.4 m -110.2 109.67 20.24 Favored 'General case' 0 C--N 1.371 1.537 0 N-CA-C 117.123 2.268 . . . . 0.0 117.123 -168.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . 0.362 2.6 m-85 64.41 -67.56 0.11 Allowed 'General case' 0 C--N 1.363 1.172 1 N-CA-C 122.933 4.42 . . . . 0.0 122.933 162.739 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 23.7 pt -77.96 137.55 21.97 Favored 'Isoleucine or valine' 0 C--N 1.362 1.126 0 N-CA-C 119.388 3.107 . . . . 0.0 119.388 -170.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 167.97 151.59 7.13 Favored Glycine 0 C--N 1.36 1.909 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 170.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -114.56 139.5 24.07 Favored Pre-proline 0 C--N 1.366 1.283 0 CA-C-N 119.929 1.865 . . . . 0.0 111.983 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -88.17 144.24 5.92 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 125.101 3.867 . . . . 0.0 116.297 -176.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.0 t -132.49 135.84 57.07 Favored 'Isoleucine or valine' 0 C--N 1.37 1.481 0 C-N-CA 128.45 2.7 . . . . 0.0 109.458 174.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -100.22 99.32 9.99 Favored 'General case' 0 C--N 1.367 1.34 0 N-CA-C 104.549 -2.389 . . . . 0.0 104.549 171.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.5 tp -82.68 -11.94 57.98 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 126.113 1.765 . . . . 0.0 113.069 -174.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 50.4 m -96.65 156.56 16.29 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 127.729 2.411 . . . . 0.0 111.296 174.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -110.86 37.4 3.75 Favored Glycine 0 C--N 1.365 2.187 0 C-N-CA 125.144 1.354 . . . . 0.0 111.528 169.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 27.0 tp -166.72 175.45 7.86 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 128.379 2.671 . . . . 0.0 104.169 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.45 54.56 3.16 Favored 'General case' 0 C--N 1.359 1.021 0 C-N-CA 128.066 2.546 . . . . 0.0 113.805 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -107.44 -107.11 0.33 Allowed 'General case' 0 C--N 1.356 0.863 0 C-N-CA 127.615 2.366 . . . . 0.0 112.699 -177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.7 tp -97.99 131.01 45.89 Favored 'Isoleucine or valine' 0 C--N 1.36 1.055 0 C-N-CA 125.793 1.637 . . . . 0.0 113.552 -176.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.1 m -123.13 141.39 52.02 Favored 'General case' 0 C--N 1.365 1.247 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -124.91 138.48 54.24 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 126.358 1.863 . . . . 0.0 111.231 -175.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.54 HD11 ' HB2' ' A' ' 103' ' ' ASP 0.277 0.7 OUTLIER -126.87 135.33 63.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 O-C-N 119.423 -2.048 . . . . 0.0 105.903 174.992 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -129.31 145.12 51.43 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 120.609 -1.307 . . . . 0.0 114.115 -174.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.59 149.41 21.55 Favored Glycine 0 C--N 1.367 2.268 0 N-CA-C 107.783 -2.127 . . . . 0.0 107.783 165.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -149.28 152.6 36.18 Favored 'General case' 0 C--N 1.362 1.125 0 CA-C-N 120.074 1.937 . . . . 0.0 113.171 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -126.52 120.1 28.8 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 104.314 -2.476 . . . . 0.0 104.314 176.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -146.74 143.58 28.79 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 105.484 -2.043 . . . . 0.0 105.484 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -125.1 31.75 4.18 Favored Glycine 0 C--N 1.358 1.785 0 C-N-CA 124.514 1.054 . . . . 0.0 111.854 178.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -135.47 77.9 1.7 Allowed 'General case' 0 C--N 1.35 0.604 0 C-N-CA 124.984 1.314 . . . . 0.0 108.384 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -85.8 61.92 7.14 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 125.951 1.7 . . . . 0.0 112.589 -177.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.03 136.79 54.89 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 C-N-CA 125.727 1.611 . . . . 0.0 107.669 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.429 0 N-CA-C 106.851 -2.499 . . . . 0.0 106.851 -179.214 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 37.6 tpp . . . . . 0 N--CA 1.435 -1.201 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -73.56 50.26 0.32 Allowed 'General case' 0 C--N 1.361 1.073 0 C-N-CA 128.477 2.711 . . . . 0.0 115.14 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -116.39 29.66 7.82 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 127.58 2.352 . . . . 0.0 110.052 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -89.51 75.82 7.51 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 125.406 1.483 . . . . 0.0 111.003 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -123.17 127.41 48.62 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 125.992 1.717 . . . . 0.0 108.429 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 46.4 ttp180 -148.79 42.79 0.97 Allowed 'General case' 0 C--N 1.349 0.55 0 CA-C-O 122.906 1.336 . . . . 0.0 108.957 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -91.04 171.53 9.2 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 125.384 1.473 . . . . 0.0 109.501 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -96.55 133.18 38.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-O 124.242 1.972 . . . . 0.0 112.606 -173.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.8 mt -128.56 142.16 44.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.085 0 C-N-CA 128.359 2.664 . . . . 0.0 105.445 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.6 113.69 26.51 Favored 'General case' 0 C--N 1.36 1.033 0 C-N-CA 124.601 1.161 . . . . 0.0 109.447 -177.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -101.24 123.98 46.22 Favored 'General case' 0 C--N 1.36 1.028 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -172.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -121.27 157.15 30.96 Favored 'General case' 0 C--N 1.38 1.896 0 C-N-CA 126.891 2.076 . . . . 0.0 112.195 -177.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.1 p -134.3 154.75 51.13 Favored 'General case' 0 C--N 1.373 1.602 0 C-N-CA 126.464 1.906 . . . . 0.0 112.74 172.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -114.83 117.36 30.49 Favored 'General case' 0 C--N 1.363 1.188 0 N-CA-C 103.119 -2.919 . . . . 0.0 103.119 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 57.5 t -116.84 131.74 68.61 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 O-C-N 121.124 -0.985 . . . . 0.0 109.788 -167.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -83.37 134.7 34.89 Favored 'General case' 0 C--N 1.361 1.082 0 C-N-CA 125.876 1.67 . . . . 0.0 113.322 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . 0.251 65.5 mt-30 77.85 68.63 0.05 OUTLIER 'General case' 0 C--N 1.36 1.03 0 C-N-CA 126.817 2.047 . . . . 0.0 113.846 174.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.9 m -141.99 55.04 1.47 Allowed 'General case' 0 CA--C 1.505 -0.763 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -109.32 27.6 9.37 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 126.728 2.011 . . . . 0.0 108.799 177.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.36 -56.34 1.57 Allowed Glycine 0 C--N 1.363 2.039 0 N-CA-C 119.551 2.58 . . . . 0.0 119.551 172.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -104.8 -42.91 5.24 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 125.829 1.652 . . . . 0.0 111.884 -177.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -179.99 156.78 18.82 Favored Glycine 0 C--N 1.35 1.35 0 N-CA-C 104.482 -3.447 . . . . 0.0 104.482 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 136.0 144.35 4.87 Favored Glycine 0 C--N 1.355 1.636 0 CA-C-N 119.378 1.589 . . . . 0.0 110.346 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -117.46 54.16 0.9 Allowed 'General case' 0 C--N 1.36 1.042 0 C-N-CA 124.9 1.28 . . . . 0.0 114.403 -173.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 45.2 p -98.78 173.19 7.0 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 124.806 1.242 . . . . 0.0 108.639 175.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -113.89 126.22 54.92 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -117.9 143.87 45.95 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 125.79 1.636 . . . . 0.0 109.284 -176.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -87.81 132.96 33.98 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 127.595 2.358 . . . . 0.0 112.505 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.3 p -143.41 159.18 17.13 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -84.0 139.84 32.28 Favored 'General case' 0 C--N 1.364 1.231 0 C-N-CA 125.642 1.577 . . . . 0.0 108.221 173.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -92.28 -51.74 5.01 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 124.304 1.042 . . . . 0.0 108.864 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -172.08 175.35 3.79 Favored 'General case' 0 C--N 1.361 1.08 0 N-CA-C 105.796 -1.928 . . . . 0.0 105.796 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.6 t -136.05 132.81 36.69 Favored 'General case' 0 CA--C 1.512 -0.504 1 N-CA-C 99.772 -4.159 . . . . 0.0 99.772 176.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.46 164.27 37.62 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -176.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.57 113.75 22.73 Favored 'General case' 0 C--N 1.373 1.598 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 169.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -163.43 169.18 19.27 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.19 -1.368 . . . . 0.0 108.29 -167.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -129.45 117.25 20.23 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 125.403 1.481 . . . . 0.0 111.008 174.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.446 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 93.2 t -109.4 99.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.376 1.734 0 C-N-CA 129.037 2.935 . . . . 0.0 105.816 172.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -118.63 135.87 23.87 Favored Pre-proline 0 C--N 1.368 1.404 0 C-N-CA 128.096 2.558 . . . . 0.0 111.347 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -71.57 155.47 59.22 Favored 'Trans proline' 0 CA--C 1.555 1.557 0 C-N-CA 125.088 3.859 . . . . 0.0 116.154 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.367 1.5 mt 73.45 -141.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.376 1.732 0 C-N-CA 128.691 2.797 . . . . 0.0 111.998 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . 0.311 91.8 p 167.0 -148.45 0.0 OUTLIER 'General case' 0 C--N 1.365 1.268 0 C-N-CA 126.347 1.859 . . . . 0.0 108.698 174.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -90.07 -24.09 21.25 Favored 'General case' 0 C--N 1.362 1.129 0 C-N-CA 127.803 2.441 . . . . 0.0 111.059 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -65.33 -3.42 4.1 Favored 'General case' 0 C--N 1.365 1.264 0 N-CA-C 118.319 2.711 . . . . 0.0 118.319 -175.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -78.96 -31.35 45.0 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 126.706 2.003 . . . . 0.0 110.881 172.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -76.06 -14.22 60.2 Favored 'General case' 0 C--N 1.368 1.403 0 C-N-CA 129.289 3.036 . . . . 0.0 113.11 177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -86.35 -22.83 26.47 Favored 'General case' 0 C--N 1.366 1.307 0 C-N-CA 126.91 2.084 . . . . 0.0 110.23 173.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . 0.293 17.5 ttmm 73.92 52.6 0.11 Allowed 'General case' 0 C--N 1.365 1.282 0 C-N-CA 128.986 2.914 . . . . 0.0 114.626 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.24 25.96 4.03 Favored 'General case' 0 C--N 1.362 1.123 0 O-C-N 120.135 -1.603 . . . . 0.0 112.296 179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -74.61 59.16 0.82 Allowed 'General case' 0 C--N 1.363 1.179 0 C-N-CA 129.613 3.165 . . . . 0.0 115.696 -175.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -102.68 137.36 41.0 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 125.781 1.632 . . . . 0.0 109.328 178.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.3 tp -71.33 135.85 47.55 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 126.986 2.114 . . . . 0.0 113.645 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 86.18 75.16 0.01 OUTLIER 'General case' 0 C--N 1.365 1.272 0 C-N-CA 127.49 2.316 . . . . 0.0 113.501 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.1 t -159.14 148.59 14.71 Favored Pre-proline 0 C--N 1.359 1.018 0 N-CA-C 103.712 -2.699 . . . . 0.0 103.712 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -72.39 155.95 55.03 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 125.157 3.905 . . . . 0.0 113.288 173.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 tt -41.97 154.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.247 1 C-N-CA 133.906 4.882 . . . . 0.0 118.783 -179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.463 ' H ' ' HB3' ' A' ' 137' ' ' GLU . . . -126.12 140.78 12.34 Favored Glycine 0 C--N 1.363 2.058 0 O-C-N 118.795 -2.44 . . . . 0.0 113.794 -177.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -130.28 148.98 52.16 Favored 'General case' 0 CA--C 1.501 -0.921 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 176.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -107.14 118.55 37.0 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 100.867 -3.753 . . . . 0.0 100.867 174.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.446 ' CD1' ' HA ' ' A' ' 72' ' ' VAL . 49.5 mm -130.33 137.48 56.21 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.437 0 CA-C-N 114.328 -1.305 . . . . 0.0 109.47 -170.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -127.56 117.86 22.86 Favored 'General case' 0 C--N 1.358 0.948 1 N-CA-C 99.962 -4.088 . . . . 0.0 99.962 164.106 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 95.9 m -138.31 122.67 11.74 Favored Pre-proline 0 C--N 1.357 0.896 0 N-CA-C 104.641 -2.355 . . . . 0.0 104.641 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -62.76 124.87 14.87 Favored 'Trans proline' 0 C--N 1.386 2.515 0 C-N-CA 124.467 3.445 . . . . 0.0 110.425 -178.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.414 5.3 t80 20.29 26.88 0.0 OUTLIER 'General case' 0 CA--C 1.558 1.276 2 C-N-CA 132.974 4.51 . . . . 0.0 121.858 -168.532 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -103.71 126.26 50.73 Favored 'General case' 0 C--N 1.361 1.102 0 O-C-N 119.776 -1.828 . . . . 0.0 108.378 174.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.57 9.83 40.84 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 126.925 2.09 . . . . 0.0 109.465 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -102.44 0.72 34.25 Favored 'General case' 0 C--N 1.355 0.831 0 N-CA-C 120.187 3.403 . . . . 0.0 120.187 -170.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 pp -63.38 -46.46 95.33 Favored 'Isoleucine or valine' 0 C--N 1.389 2.322 0 CA-C-N 125.717 3.871 . . . . 0.0 113.685 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -133.84 113.33 12.13 Favored 'General case' 0 C--N 1.35 0.621 0 C-N-CA 128.042 2.537 . . . . 0.0 110.211 172.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.4 mmtt -169.61 57.62 0.04 OUTLIER 'General case' 0 C--N 1.347 0.484 0 N-CA-C 102.586 -3.116 . . . . 0.0 102.586 175.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt 72.5 65.25 0.12 Allowed 'General case' 0 C--N 1.369 1.419 0 C-N-CA 130.463 3.505 . . . . 0.0 110.755 -174.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 21.7 mmt -133.2 171.56 13.85 Favored 'General case' 0 C--N 1.363 1.17 0 CA-C-O 122.645 1.212 . . . . 0.0 112.93 -170.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -129.0 130.85 47.18 Favored 'General case' 0 C--N 1.367 1.36 0 N-CA-C 104.502 -2.407 . . . . 0.0 104.502 170.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 15.8 m -130.51 151.01 35.22 Favored 'Isoleucine or valine' 0 C--N 1.359 1.001 0 O-C-N 119.619 -1.925 . . . . 0.0 109.235 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.8 mt -112.16 107.79 23.85 Favored 'Isoleucine or valine' 0 C--N 1.363 1.16 0 N-CA-C 105.613 -1.995 . . . . 0.0 105.613 170.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -97.81 88.25 4.24 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 131.07 3.748 . . . . 0.0 106.527 172.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 58.78 39.9 23.63 Favored 'General case' 0 C--N 1.366 1.318 0 N-CA-C 118.286 2.698 . . . . 0.0 118.286 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.89 -9.49 75.35 Favored Glycine 0 C--N 1.358 1.757 0 C-N-CA 126.294 1.902 . . . . 0.0 114.843 -175.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -89.07 121.41 31.38 Favored 'General case' 0 C--N 1.359 1.019 0 C-N-CA 125.037 1.335 . . . . 0.0 110.212 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 24.9 pt -90.31 120.56 39.37 Favored 'Isoleucine or valine' 0 C--N 1.366 1.305 0 C-N-CA 126.609 1.963 . . . . 0.0 110.645 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.36 137.37 57.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 C-N-CA 127.231 2.213 . . . . 0.0 108.226 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.0 t -130.24 132.27 45.89 Favored 'General case' 0 C--N 1.365 1.277 0 N-CA-C 104.1 -2.555 . . . . 0.0 104.1 173.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -165.38 154.36 12.14 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 -171.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 68.8 mt -81.23 -71.53 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.376 1.732 0 C-N-CA 125.713 1.605 . . . . 0.0 111.497 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.4 168.69 40.17 Favored Glycine 0 C--N 1.368 2.333 0 N-CA-C 119.271 2.469 . . . . 0.0 119.271 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.448 ' H ' HD13 ' A' ' 133' ' ' ILE . 24.0 t70 -162.57 79.03 1.85 Allowed Pre-proline 0 C--N 1.37 1.48 0 C-N-CA 125.086 1.354 . . . . 0.0 113.183 177.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -77.13 137.24 17.0 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 125.217 3.945 . . . . 0.0 116.097 -174.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 48.0 t -112.27 123.46 68.02 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 C-N-CA 126.425 1.89 . . . . 0.0 108.042 177.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 131' ' ' THR . 2.9 m-20 -83.28 115.68 22.08 Favored 'General case' 0 C--N 1.364 1.209 0 C-N-CA 126.787 2.035 . . . . 0.0 109.284 178.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.2 mt -91.26 -12.23 35.8 Favored 'General case' 0 C--N 1.362 1.123 0 O-C-N 120.087 -1.633 . . . . 0.0 112.722 -174.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.8 t -152.01 -162.46 1.52 Allowed 'General case' 0 C--N 1.35 0.629 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -99.43 -155.06 28.47 Favored Glycine 0 C--N 1.361 1.935 0 C-N-CA 126.423 1.963 . . . . 0.0 114.354 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 24.9 mt -56.52 122.79 12.78 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 117.434 2.383 . . . . 0.0 117.434 -176.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . 0.273 0.3 OUTLIER 85.4 -13.54 0.62 Allowed 'General case' 0 C--N 1.369 1.414 0 C-N-CA 130.494 3.518 . . . . 0.0 114.45 -177.573 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -83.78 -130.45 0.03 OUTLIER 'General case' 0 C--N 1.359 0.981 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 -175.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 46.1 mm -114.34 126.18 71.8 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 O-C-N 119.252 -2.155 . . . . 0.0 114.808 -170.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 123' ' ' ASP . 96.9 m -116.05 127.07 54.59 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 104.301 -2.481 . . . . 0.0 104.301 167.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -124.13 137.48 54.55 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 125.742 1.617 . . . . 0.0 112.028 -172.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.448 HD13 ' H ' ' A' ' 120' ' ' ASP 0.304 0.3 OUTLIER -126.07 128.92 72.19 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 O-C-N 119.687 -1.883 . . . . 0.0 107.638 176.961 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -121.88 129.75 52.82 Favored 'General case' 0 C--N 1.358 0.964 0 N-CA-C 106.714 -1.588 . . . . 0.0 106.714 178.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.14 162.5 28.38 Favored Glycine 0 C--N 1.347 1.148 0 N-CA-C 107.408 -2.277 . . . . 0.0 107.408 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.82 128.79 47.11 Favored 'General case' 0 C--N 1.359 0.985 0 C-N-CA 125.782 1.633 . . . . 0.0 108.453 174.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.463 ' HB3' ' H ' ' A' ' 91' ' ' GLY . 10.6 pt-20 -99.77 144.39 28.9 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 125.336 1.454 . . . . 0.0 112.634 175.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -76.84 69.46 3.18 Favored 'General case' 0 C--N 1.367 1.341 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 154.66 -138.16 6.02 Favored Glycine 0 C--N 1.354 1.576 0 N-CA-C 106.762 -2.535 . . . . 0.0 106.762 -176.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . 73.67 -19.16 0.35 Allowed 'General case' 0 C--N 1.359 1.003 0 N-CA-C 119.188 3.033 . . . . 0.0 119.188 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -157.46 161.86 38.91 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 178.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.2 t -84.1 65.46 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.207 0 C-N-CA 127.243 2.217 . . . . 0.0 111.64 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.662 0 C-N-CA 125.639 1.59 . . . . 0.0 111.173 -179.725 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 94.2 mmm . . . . . 0 N--CA 1.439 -1.02 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -93.64 56.49 2.38 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 127.357 2.263 . . . . 0.0 110.188 177.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -167.58 -178.2 3.84 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 128.043 2.537 . . . . 0.0 106.795 -173.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -73.74 43.48 0.15 Allowed 'General case' 0 C--N 1.367 1.364 0 C-N-CA 128.592 2.757 . . . . 0.0 118.118 -175.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . 0.251 67.5 t80 91.58 -91.98 0.01 OUTLIER 'General case' 0 C--N 1.364 1.229 0 C-N-CA 130.615 3.566 . . . . 0.0 107.976 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . 0.305 70.1 mtm180 53.78 43.73 30.58 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 130.089 3.356 . . . . 0.0 118.715 175.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -89.16 159.6 17.41 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 126.362 1.865 . . . . 0.0 109.019 175.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.7 m -97.17 115.33 36.53 Favored 'Isoleucine or valine' 0 C--N 1.359 0.983 0 CA-C-O 123.445 1.593 . . . . 0.0 110.057 -176.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.434 HG12 ' HA ' ' A' ' 110' ' ' TYR 0.262 1.0 OUTLIER -118.03 171.36 6.44 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 C-N-CA 127.189 2.195 . . . . 0.0 110.821 -172.899 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.4 m -109.23 117.09 33.21 Favored 'General case' 0 C--N 1.381 1.951 0 CA-C-N 120.948 1.703 . . . . 0.0 112.409 -176.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 3.1 m-85 -104.46 133.57 49.12 Favored 'General case' 0 CA--C 1.559 1.305 0 C-N-CA 125.387 1.475 . . . . 0.0 111.161 -176.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -124.19 160.05 28.75 Favored 'General case' 0 C--N 1.384 2.084 0 C-N-CA 129.482 3.113 . . . . 0.0 109.845 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.8 t -142.42 161.07 38.99 Favored 'General case' 0 C--N 1.368 1.377 0 O-C-N 120.253 -1.529 . . . . 0.0 112.322 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -112.77 127.38 56.14 Favored 'General case' 0 C--N 1.359 0.998 0 N-CA-C 105.766 -1.939 . . . . 0.0 105.766 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.14 157.17 43.2 Favored 'Isoleucine or valine' 0 C--N 1.353 0.739 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.487 ' HG3' ' H ' ' A' ' 51' ' ' GLN . 8.7 pt-20 -88.5 -103.69 0.08 Allowed 'General case' 0 C--N 1.361 1.093 0 C-N-CA 124.75 1.22 . . . . 0.0 110.424 173.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.487 ' H ' ' HG3' ' A' ' 50' ' ' GLU . 32.2 tt0 97.49 152.2 0.02 OUTLIER 'General case' 0 C--N 1.363 1.161 0 C-N-CA 129.649 3.18 . . . . 0.0 110.076 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.3 t -90.83 57.16 3.46 Favored 'General case' 0 C--N 1.37 1.462 0 O-C-N 119.955 -1.716 . . . . 0.0 110.997 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -132.84 150.02 52.2 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 127.629 2.372 . . . . 0.0 106.63 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.42 -137.43 6.81 Favored Glycine 0 CA--C 1.49 -1.529 0 N-CA-C 104.867 -3.293 . . . . 0.0 104.867 -177.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -88.8 -50.69 6.07 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 124.595 1.158 . . . . 0.0 111.75 177.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.54 77.6 0.15 Allowed Glycine 0 C--N 1.35 1.354 0 O-C-N 120.821 -1.174 . . . . 0.0 111.595 178.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.31 -85.64 0.15 Allowed Glycine 0 C--N 1.353 1.502 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 175.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -164.82 152.17 11.31 Favored 'General case' 0 C--N 1.353 0.729 0 C-N-CA 125.396 1.478 . . . . 0.0 108.421 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 21.8 p -146.63 161.26 40.92 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 102.373 -3.195 . . . . 0.0 102.373 176.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -113.16 144.81 42.02 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -176.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -132.29 156.62 46.23 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 126.427 1.891 . . . . 0.0 109.955 -175.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -114.06 131.8 56.25 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 127.423 2.289 . . . . 0.0 106.97 176.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.6 m -141.09 159.17 23.08 Favored 'Isoleucine or valine' 0 C--N 1.365 1.257 0 C-N-CA 125.27 1.428 . . . . 0.0 108.546 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -96.09 129.35 43.41 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 127.859 2.464 . . . . 0.0 107.058 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -91.65 -63.13 1.29 Allowed 'General case' 0 C--N 1.358 0.95 0 N-CA-C 115.563 1.69 . . . . 0.0 115.563 -171.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -163.28 176.81 9.55 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 -171.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.2 t -126.67 132.62 51.15 Favored 'General case' 0 C--N 1.356 0.876 0 N-CA-C 104.481 -2.414 . . . . 0.0 104.481 169.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.26 165.06 36.92 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 -174.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.91 114.74 20.72 Favored 'General case' 0 C--N 1.365 1.279 0 CA-C-O 124.499 2.095 . . . . 0.0 113.667 -179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -163.54 169.69 18.37 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 114.197 -1.365 . . . . 0.0 108.272 -175.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -122.63 106.77 11.27 Favored 'General case' 0 N--CA 1.442 -0.836 1 N-CA-C 100.009 -4.071 . . . . 0.0 100.009 169.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.616 HG11 HG11 ' A' ' 108' ' ' VAL . 0.2 OUTLIER -115.42 96.4 4.57 Favored 'Isoleucine or valine' 0 C--N 1.365 1.247 0 N-CA-C 101.101 -3.666 . . . . 0.0 101.101 -172.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -121.65 151.11 56.63 Favored Pre-proline 0 C--N 1.375 1.709 0 CA-C-N 121.962 2.164 . . . . 0.0 115.158 -170.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -71.52 152.82 60.3 Favored 'Trans proline' 0 C--N 1.367 1.528 0 C-N-CA 124.453 3.435 . . . . 0.0 114.272 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.0 tt -84.18 32.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.368 1.374 0 CA-C-O 124.831 2.253 . . . . 0.0 114.354 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 52.1 p -128.36 95.98 4.3 Favored 'General case' 0 C--N 1.352 0.676 0 C-N-CA 128.845 2.858 . . . . 0.0 107.31 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -79.23 -121.66 0.01 OUTLIER 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.315 1.846 . . . . 0.0 113.189 -177.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -100.09 -5.67 27.54 Favored 'General case' 0 C--N 1.361 1.094 0 O-C-N 119.561 -1.962 . . . . 0.0 111.271 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -98.93 67.98 1.69 Allowed 'General case' 0 C--N 1.356 0.887 0 C-N-CA 127.405 2.282 . . . . 0.0 114.329 -174.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -80.3 -20.29 44.68 Favored 'General case' 0 C--N 1.363 1.18 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 24.8 t80 79.13 -176.83 0.09 Allowed 'General case' 0 C--N 1.364 1.214 0 C-N-CA 127.631 2.372 . . . . 0.0 113.494 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -94.74 -74.58 0.54 Allowed 'General case' 0 C--N 1.357 0.92 0 C-N-CA 125.239 1.416 . . . . 0.0 112.167 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.57 30.05 0.06 Allowed 'General case' 0 C--N 1.362 1.135 0 N-CA-C 117.773 2.508 . . . . 0.0 117.773 -176.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -145.84 149.74 34.86 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 104.458 -2.423 . . . . 0.0 104.458 178.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -136.12 72.11 1.43 Allowed 'General case' 0 C--N 1.355 0.827 0 CA-C-O 123.184 1.468 . . . . 0.0 108.358 175.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.9 mt -87.93 72.6 9.28 Favored 'General case' 0 C--N 1.358 0.941 0 C-N-CA 125.936 1.695 . . . . 0.0 110.154 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -72.85 -47.34 47.03 Favored 'General case' 0 C--N 1.369 1.432 0 C-N-CA 127.974 2.509 . . . . 0.0 112.776 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.6 p -99.19 108.1 48.04 Favored Pre-proline 0 C--N 1.358 0.976 0 CA-C-O 116.976 -1.488 . . . . 0.0 108.082 173.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -79.19 155.36 25.56 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 124.816 3.677 . . . . 0.0 112.229 178.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.6 pt -114.96 39.21 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.737 0 O-C-N 120.747 -1.221 . . . . 0.0 110.062 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -171.3 145.5 8.9 Favored Glycine 0 CA--C 1.487 -1.662 0 O-C-N 120.569 -1.332 . . . . 0.0 113.072 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.44 ' HE2' HG12 ' A' ' 72' ' ' VAL . 1.1 m-30 -116.36 162.02 18.17 Favored 'General case' 0 C--N 1.36 1.041 0 C-N-CA 126.689 1.995 . . . . 0.0 113.359 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -132.52 119.39 20.49 Favored 'General case' 0 C--N 1.364 1.208 0 N-CA-C 103.141 -2.911 . . . . 0.0 103.141 163.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.511 ' HB ' ' HA ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -142.47 134.56 26.11 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 O-C-N 119.726 -1.859 . . . . 0.0 110.287 -167.795 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -131.66 150.34 52.18 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 124.952 1.301 . . . . 0.0 110.175 173.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.8 t -141.13 153.7 67.1 Favored Pre-proline 0 C--N 1.351 0.658 0 N-CA-C 104.137 -2.542 . . . . 0.0 104.137 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -74.42 126.08 10.08 Favored 'Trans proline' 0 CA--C 1.55 1.28 0 CA-C-N 125.73 3.082 . . . . 0.0 110.311 175.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.402 0.3 OUTLIER 19.64 20.42 0.0 OUTLIER 'General case' 0 C--N 1.367 1.357 2 C-N-CA 137.03 6.132 . . . . 0.0 122.939 -175.658 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -104.44 150.6 24.41 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 128.446 2.698 . . . . 0.0 109.802 174.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -110.24 64.33 0.61 Allowed 'General case' 0 C--N 1.347 0.482 0 O-C-N 120.348 -1.47 . . . . 0.0 107.459 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -76.58 -49.91 15.17 Favored 'General case' 0 C--N 1.365 1.263 0 C-N-CA 127.656 2.382 . . . . 0.0 111.265 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.441 HG21 HD11 ' A' ' 94' ' ' ILE . 1.0 OUTLIER -78.04 131.39 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.2 0 C-N-CA 130.849 3.66 . . . . 0.0 112.983 174.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -135.44 -171.86 2.94 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -166.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -97.61 128.58 44.43 Favored 'General case' 0 C--N 1.365 1.251 0 C-N-CA 130.222 3.409 . . . . 0.0 105.248 170.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp 79.32 53.87 0.02 OUTLIER 'General case' 0 C--N 1.362 1.151 0 C-N-CA 128.986 2.914 . . . . 0.0 109.085 -173.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.1 tpt -124.77 149.63 47.14 Favored 'General case' 0 C--N 1.364 1.233 0 CA-C-O 124.301 2.001 . . . . 0.0 113.09 -171.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -136.27 126.18 25.87 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 102.557 -3.127 . . . . 0.0 102.557 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.616 HG11 HG11 ' A' ' 72' ' ' VAL . 97.1 t -129.27 140.34 49.43 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.758 0 O-C-N 119.389 -2.07 . . . . 0.0 105.671 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 51.3 mt -99.17 104.28 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 N-CA-C 103.661 -2.718 . . . . 0.0 103.661 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.434 ' HA ' HG12 ' A' ' 43' ' ' ILE . 9.9 t80 -96.68 93.54 6.78 Favored 'General case' 0 N--CA 1.433 -1.299 0 C-N-CA 129.135 2.974 . . . . 0.0 110.365 175.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . 0.257 21.9 ttm180 52.35 42.92 31.23 Favored 'General case' 0 C--N 1.367 1.366 0 C-N-CA 128.73 2.812 . . . . 0.0 116.89 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.74 -6.41 77.07 Favored Glycine 0 C--N 1.36 1.884 0 C-N-CA 126.353 1.93 . . . . 0.0 116.5 -175.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -94.28 126.5 39.57 Favored 'General case' 0 C--N 1.36 1.053 0 CA-C-N 119.895 1.847 . . . . 0.0 110.013 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 5.8 mm -94.72 106.8 18.59 Favored 'Isoleucine or valine' 0 C--N 1.371 1.522 0 C-N-CA 124.142 0.977 . . . . 0.0 109.313 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.23 148.22 27.22 Favored 'Isoleucine or valine' 0 C--N 1.367 1.335 0 C-N-CA 125.547 1.539 . . . . 0.0 112.27 -176.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 31.3 p -111.93 142.25 44.57 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 128.853 2.861 . . . . 0.0 115.724 -176.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -156.16 157.19 35.52 Favored 'General case' 0 C--N 1.368 1.378 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 176.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 8.3 pt -140.64 102.64 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.37 1.481 0 C-N-CA 125.714 1.606 . . . . 0.0 106.792 175.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -147.31 161.45 28.49 Favored Glycine 0 C--N 1.359 1.842 0 O-C-N 119.178 -2.201 . . . . 0.0 114.826 -172.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -107.32 138.83 20.02 Favored Pre-proline 0 C--N 1.357 0.917 0 C-N-CA 126.471 1.908 . . . . 0.0 110.309 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -85.7 154.65 10.27 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 123.958 3.105 . . . . 0.0 115.693 -172.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 18.2 t -130.42 139.52 51.14 Favored 'Isoleucine or valine' 0 C--N 1.367 1.33 0 C-N-CA 128.291 2.636 . . . . 0.0 109.112 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -101.61 128.15 48.02 Favored 'General case' 0 C--N 1.368 1.411 0 C-N-CA 125.943 1.697 . . . . 0.0 109.849 174.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -82.34 -3.7 55.9 Favored 'General case' 0 C--N 1.364 1.21 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 -174.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 7.6 t 176.91 -171.01 0.08 Allowed 'General case' 0 C--N 1.348 0.513 0 N-CA-C 102.502 -3.147 . . . . 0.0 102.502 174.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -133.98 52.72 0.81 Allowed Glycine 0 C--N 1.357 1.696 0 CA-C-N 120.052 1.297 . . . . 0.0 113.847 -178.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -137.28 24.86 2.96 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 121.389 -1.065 . . . . 0.0 111.263 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 74.67 56.07 0.08 Allowed 'General case' 0 C--N 1.366 1.317 0 C-N-CA 127.625 2.37 . . . . 0.0 112.548 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -104.82 -112.27 0.25 Allowed 'General case' 0 C--N 1.355 0.846 0 C-N-CA 125.125 1.37 . . . . 0.0 111.519 -178.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.8 mt -111.57 138.45 40.1 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 O-C-N 120.506 -1.371 . . . . 0.0 111.347 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.96 126.86 54.37 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 128.495 2.718 . . . . 0.0 105.747 167.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 74.0 ttt-85 -124.3 138.54 54.38 Favored 'General case' 0 N--CA 1.443 -0.776 0 C-N-CA 127.07 2.148 . . . . 0.0 108.972 -177.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.476 HG23 HG23 ' A' ' 94' ' ' ILE . 16.9 tt -128.29 141.16 47.25 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 174.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -128.05 118.3 23.22 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 103.431 -2.803 . . . . 0.0 103.431 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.39 132.51 4.49 Favored Glycine 0 C--N 1.362 1.978 0 C-N-CA 123.912 0.768 . . . . 0.0 112.325 -174.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -165.6 164.34 19.22 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 118.064 0.932 . . . . 0.0 110.74 -173.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.418 ' HG3' ' H ' ' A' ' 139' ' ' GLY . 14.6 tp10 -113.63 138.23 50.48 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 125.679 1.592 . . . . 0.0 108.255 173.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -124.79 22.38 8.17 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 126.456 1.902 . . . . 0.0 109.755 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.418 ' H ' ' HG3' ' A' ' 137' ' ' GLU . . . 82.06 -62.81 4.5 Favored Glycine 0 C--N 1.363 2.038 0 C-N-CA 126.772 2.13 . . . . 0.0 114.706 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -162.42 -178.47 6.3 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 102.619 -3.104 . . . . 0.0 102.619 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -143.99 137.72 27.91 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . 0.436 4.7 p 61.01 -56.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.36 1.045 0 C-N-CA 129.421 3.088 . . . . 0.0 118.279 -178.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.616 0 N-CA-C 109.181 -1.568 . . . . 0.0 109.181 -178.842 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.435 -1.215 0 CA-C-O 121.9 0.857 . . . . 0.0 109.799 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -106.72 139.18 41.57 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.578 1.551 . . . . 0.0 109.871 -179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -119.42 -95.31 0.49 Allowed 'General case' 0 C--N 1.361 1.07 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 174.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -137.29 108.78 6.93 Favored 'General case' 0 CA--C 1.5 -0.964 1 N-CA-C 99.463 -4.273 . . . . 0.0 99.463 173.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.413 ' HA ' ' CG ' ' A' ' 71' ' ' HIS . 35.3 m-85 -132.38 74.7 1.59 Allowed 'General case' 0 C--N 1.358 0.966 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -175.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -150.87 43.38 0.81 Allowed 'General case' 0 C--N 1.357 0.908 0 CA-C-O 122.946 1.355 . . . . 0.0 110.112 -177.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -105.91 172.56 6.74 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 125.767 1.627 . . . . 0.0 109.973 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.3 m -116.95 127.14 74.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 C-N-CA 126.363 1.865 . . . . 0.0 106.238 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.0 pt -139.43 167.91 19.19 Favored 'Isoleucine or valine' 0 C--N 1.369 1.453 0 O-C-N 120.707 -1.246 . . . . 0.0 113.021 -174.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.3 m -114.55 116.72 29.25 Favored 'General case' 0 C--N 1.377 1.793 0 C-N-CA 125.864 1.666 . . . . 0.0 111.965 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.404 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 92.4 m-85 -98.64 135.61 39.91 Favored 'General case' 0 C--N 1.369 1.424 0 C-N-CA 124.51 1.124 . . . . 0.0 111.794 177.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -136.66 171.28 14.72 Favored 'General case' 0 C--N 1.376 1.738 0 C-N-CA 126.351 1.86 . . . . 0.0 112.83 -173.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 t -136.97 141.44 42.6 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 125.889 1.675 . . . . 0.0 107.987 172.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -100.94 124.64 46.94 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 171.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 75.2 t -111.09 128.27 67.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 C-N-CA 126.781 2.033 . . . . 0.0 106.121 -173.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -144.21 -53.54 0.33 Allowed 'General case' 0 CA--C 1.505 -0.788 0 N-CA-C 105.326 -2.102 . . . . 0.0 105.326 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -101.86 161.25 13.81 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 126.596 1.958 . . . . 0.0 110.24 173.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.7 m -179.03 154.81 0.71 Allowed 'General case' 0 C--N 1.355 0.836 0 C-N-CA 129.996 3.318 . . . . 0.0 102.745 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -78.83 57.97 2.23 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 -174.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 145.71 -25.56 1.8 Allowed Glycine 0 C--N 1.356 1.668 0 C-N-CA 123.714 0.673 . . . . 0.0 111.982 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -128.31 60.25 1.49 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 123.055 1.407 . . . . 0.0 108.688 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -149.58 146.22 15.26 Favored Glycine 0 CA--C 1.489 -1.548 0 N-CA-C 107.072 -2.411 . . . . 0.0 107.072 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.74 -144.02 4.88 Favored Glycine 0 C--N 1.356 1.682 0 CA-C-N 117.899 0.85 . . . . 0.0 114.18 -176.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -100.42 55.55 0.9 Allowed 'General case' 0 C--N 1.37 1.467 0 C-N-CA 127.112 2.165 . . . . 0.0 113.5 -175.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.8 t -154.92 165.87 35.34 Favored 'General case' 0 C--N 1.347 0.498 0 N-CA-C 103.64 -2.726 . . . . 0.0 103.64 175.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -134.2 148.89 50.96 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 119.529 1.059 . . . . 0.0 109.273 179.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -141.62 149.87 41.25 Favored 'General case' 0 C--N 1.359 0.99 0 C-N-CA 125.919 1.687 . . . . 0.0 108.722 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -114.72 139.59 49.56 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 127.809 2.444 . . . . 0.0 108.423 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.4 p -141.01 153.55 20.59 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 N-CA-C 107.427 -1.323 . . . . 0.0 107.427 179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -95.03 133.19 39.08 Favored 'General case' 0 C--N 1.367 1.362 0 C-N-CA 126.194 1.798 . . . . 0.0 107.39 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -86.17 -53.62 4.94 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 125.483 1.513 . . . . 0.0 111.109 -174.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.404 ' CZ ' ' CD1' ' A' ' 45' ' ' PHE . 7.2 p90 -170.7 175.27 4.65 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 178.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 24.2 m -141.36 133.07 27.21 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 100.961 -3.718 . . . . 0.0 100.961 175.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -156.12 163.71 39.3 Favored 'General case' 0 CA--C 1.508 -0.645 0 CA-C-O 122.221 1.01 . . . . 0.0 112.324 -175.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.59 112.8 19.82 Favored 'General case' 0 C--N 1.37 1.479 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 171.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -169.45 169.86 8.66 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 123.269 1.509 . . . . 0.0 107.286 -168.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.413 ' CG ' ' HA ' ' A' ' 39' ' ' PHE . 58.0 t-80 -144.2 131.45 20.74 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 120.335 -1.478 . . . . 0.0 109.944 177.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.591 ' HA ' ' HB ' ' A' ' 94' ' ' ILE . 58.0 t -114.53 99.18 8.04 Favored 'Isoleucine or valine' 0 C--N 1.367 1.335 0 C-N-CA 128.255 2.622 . . . . 0.0 105.141 -177.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -106.03 137.37 19.35 Favored Pre-proline 0 C--N 1.357 0.9 0 C-N-CA 127.239 2.216 . . . . 0.0 110.303 -174.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -71.83 155.49 58.03 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 124.36 3.373 . . . . 0.0 114.468 -176.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.7 pt -64.01 110.3 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.221 0 O-C-N 120.615 -1.303 . . . . 0.0 113.5 176.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.6 m -72.0 62.18 0.45 Allowed 'General case' 0 C--N 1.366 1.319 0 N-CA-C 116.703 2.112 . . . . 0.0 116.703 -177.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -82.89 60.29 5.31 Favored 'General case' 0 C--N 1.362 1.151 0 C-N-CA 127.862 2.465 . . . . 0.0 109.68 176.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.99 -43.62 71.08 Favored 'General case' 0 C--N 1.368 1.405 0 C-N-CA 126.26 1.824 . . . . 0.0 115.809 -176.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 69.66 -62.46 0.42 Allowed 'General case' 0 C--N 1.36 1.028 0 C-N-CA 127.928 2.491 . . . . 0.0 115.108 -178.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -96.88 -63.79 1.1 Allowed 'General case' 0 C--N 1.362 1.14 0 C-N-CA 126.578 1.951 . . . . 0.0 112.482 177.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -158.24 -55.88 0.07 Allowed 'General case' 0 C--N 1.356 0.862 0 O-C-N 120.878 -1.139 . . . . 0.0 110.547 -176.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -87.27 145.04 26.53 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 120.505 -1.372 . . . . 0.0 113.455 -176.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.67 30.81 0.01 OUTLIER 'General case' 0 C--N 1.364 1.221 0 C-N-CA 130.782 3.633 . . . . 0.0 119.854 -177.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . 0.276 2.1 mt-30 93.08 141.75 0.03 OUTLIER 'General case' 0 C--N 1.363 1.191 0 C-N-CA 130.133 3.373 . . . . 0.0 111.137 -176.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -92.15 -0.84 57.42 Favored 'General case' 0 C--N 1.367 1.357 0 O-C-N 119.536 -1.978 . . . . 0.0 111.824 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.0 tp -127.46 91.94 3.4 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 129.158 2.983 . . . . 0.0 104.134 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.33 61.81 7.1 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 125.244 1.417 . . . . 0.0 111.961 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.0 m -104.15 108.52 60.37 Favored Pre-proline 0 C--N 1.356 0.874 0 C-N-CA 128.05 2.54 . . . . 0.0 104.683 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -79.47 123.13 5.32 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 122.846 2.364 . . . . 0.0 115.057 -169.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 38.4 pt -121.76 -22.77 3.17 Favored 'Isoleucine or valine' 0 C--N 1.358 0.973 0 C-N-CA 127.771 2.428 . . . . 0.0 112.877 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.34 142.9 11.45 Favored Glycine 0 C--N 1.366 2.249 0 CA-C-N 122.164 2.256 . . . . 0.0 112.539 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.59 ' CD2' HG12 ' A' ' 72' ' ' VAL . 10.3 m-85 -134.94 132.84 38.91 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 122.473 1.13 . . . . 0.0 110.714 -178.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -99.8 120.1 39.21 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 128.88 2.872 . . . . 0.0 104.987 174.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.591 ' HB ' ' HA ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -147.97 143.87 19.28 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 O-C-N 120.755 -1.216 . . . . 0.0 111.542 -171.412 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.375 2.4 p90 -132.54 148.09 52.37 Favored 'General case' 0 C--N 1.367 1.328 0 CA-C-O 121.722 0.772 . . . . 0.0 109.05 162.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.423 HG22 HG21 ' A' ' 102' ' ' ILE . 11.2 t -140.44 163.2 45.06 Favored Pre-proline 0 C--N 1.358 0.942 0 N-CA-C 104.551 -2.388 . . . . 0.0 104.551 174.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -69.39 142.8 50.59 Favored 'Trans proline' 0 CA--C 1.561 1.83 0 C-N-CA 123.228 2.619 . . . . 0.0 109.961 158.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.315 0.3 OUTLIER 10.24 19.81 0.0 OUTLIER 'General case' 0 C--N 1.356 0.857 2 C-N-CA 137.232 6.213 . . . . 0.0 125.933 -174.765 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -103.25 131.38 50.34 Favored 'General case' 0 C--N 1.347 0.461 0 C-N-CA 126.547 1.939 . . . . 0.0 109.841 176.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -107.37 28.28 8.26 Favored 'General case' 0 C--N 1.365 1.252 0 C-N-CA 126.674 1.99 . . . . 0.0 113.807 -175.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 87.8 mmt-85 -100.72 -27.7 13.22 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 120.837 -1.164 . . . . 0.0 112.948 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.568 HG22 HD11 ' A' ' 94' ' ' ILE 0.301 0.7 OUTLIER 7.35 -77.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.377 1.769 1 C-N-CA 135.928 5.691 . . . . 0.0 119.396 166.313 . . . . . . . . 5 4 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . 0.259 9.4 p-10 -132.3 113.58 13.39 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 103.86 -2.644 . . . . 0.0 103.86 159.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -142.08 -70.64 0.34 Allowed 'General case' 0 C--N 1.357 0.892 0 O-C-N 120.093 -1.63 . . . . 0.0 112.6 -173.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -173.55 53.87 0.02 OUTLIER 'General case' 0 C--N 1.363 1.181 0 C-N-CA 125.539 1.536 . . . . 0.0 107.655 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.458 ' HB2' ' CE1' ' A' ' 117' ' ' PHE . 13.3 mtt -157.7 -148.14 0.2 Allowed 'General case' 0 C--N 1.362 1.121 0 C-N-CA 124.103 0.961 . . . . 0.0 110.167 -165.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -137.69 163.67 30.73 Favored 'General case' 0 C--N 1.378 1.817 0 CA-C-O 122.739 1.257 . . . . 0.0 111.673 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.8 p -149.06 151.7 12.78 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 O-C-N 119.108 -2.245 . . . . 0.0 108.348 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 46.0 mt -112.54 106.24 20.37 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.189 0 N-CA-C 103.671 -2.715 . . . . 0.0 103.671 171.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -96.77 99.6 11.18 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 126.731 2.012 . . . . 0.0 107.632 172.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 54.36 32.62 16.77 Favored 'General case' 0 C--N 1.366 1.308 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 179.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.61 -4.19 75.82 Favored Glycine 0 C--N 1.36 1.885 0 C-N-CA 125.503 1.525 . . . . 0.0 114.803 -171.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -93.62 114.69 27.07 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 124.984 1.314 . . . . 0.0 108.5 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 16.7 pt -81.5 116.11 25.21 Favored 'Isoleucine or valine' 0 C--N 1.366 1.294 0 C-N-CA 126.937 2.095 . . . . 0.0 110.434 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 87.7 t -120.77 128.29 76.03 Favored 'Isoleucine or valine' 0 C--N 1.363 1.175 0 C-N-CA 126.865 2.066 . . . . 0.0 110.324 -172.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 p -87.22 116.91 25.63 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 131.073 3.749 . . . . 0.0 110.364 176.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.458 ' CE1' ' HB2' ' A' ' 106' ' ' MET 0.258 0.5 OUTLIER -125.26 150.09 47.39 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 120.824 3.639 . . . . 0.0 120.824 -172.361 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 16.8 tt -144.67 149.32 17.26 Favored 'Isoleucine or valine' 0 C--N 1.372 1.559 0 C-N-CA 130.451 3.5 . . . . 0.0 105.832 172.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 174.54 -175.67 46.82 Favored Glycine 0 C--N 1.369 2.38 0 CA-C-N 120.282 1.401 . . . . 0.0 113.163 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -143.66 120.32 6.58 Favored Pre-proline 0 C--N 1.366 1.298 0 CA-C-O 115.78 -2.057 . . . . 0.0 106.299 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -94.36 159.18 2.03 Favored 'Trans proline' 0 C--N 1.351 0.699 1 C-N-CA 125.355 4.037 . . . . 0.0 113.798 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 10.7 m -126.06 140.16 49.43 Favored 'Isoleucine or valine' 0 C--N 1.363 1.186 0 C-N-CA 125.258 1.423 . . . . 0.0 107.647 172.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -101.66 136.22 41.87 Favored 'General case' 0 C--N 1.364 1.226 0 O-C-N 120.586 -1.321 . . . . 0.0 112.971 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.37 -1.29 56.05 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 129.996 3.318 . . . . 0.0 114.15 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 t -30.89 20.2 0.0 OUTLIER 'General case' 0 C--N 1.362 1.12 2 C-N-CA 135.259 5.423 . . . . 0.0 122.981 -175.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -119.4 -30.14 1.61 Allowed Glycine 0 C--N 1.357 1.697 0 C-N-CA 128.658 3.028 . . . . 0.0 112.495 178.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.3 pp -106.18 -35.53 7.17 Favored 'General case' 0 C--N 1.364 1.201 0 CA-C-N 118.916 1.358 . . . . 0.0 113.892 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -167.54 153.76 7.82 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -79.39 58.75 2.7 Favored 'General case' 0 C--N 1.366 1.291 0 C-N-CA 127.41 2.284 . . . . 0.0 114.814 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 13.0 tt -113.41 127.91 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-O 123.389 1.566 . . . . 0.0 110.881 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.5 p -107.66 119.24 38.89 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 127.096 2.158 . . . . 0.0 105.568 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -124.32 137.61 54.47 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 126.531 1.932 . . . . 0.0 107.222 -173.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 14.8 tt -140.66 143.67 28.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 CA-C-O 122.599 1.19 . . . . 0.0 112.277 -176.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -129.09 113.38 15.05 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 103.854 -2.647 . . . . 0.0 103.854 167.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.57 147.77 18.93 Favored Glycine 0 C--N 1.365 2.14 0 CA-C-N 119.482 1.037 . . . . 0.0 111.468 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -150.6 156.84 42.17 Favored 'General case' 0 C--N 1.36 1.026 0 O-C-N 120.478 -1.601 . . . . 0.0 111.441 -178.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -92.64 109.27 20.68 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 126.785 2.034 . . . . 0.0 111.879 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -146.41 -135.98 0.08 Allowed 'General case' 0 C--N 1.359 0.984 0 C-N-CA 126.525 1.93 . . . . 0.0 106.219 178.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -141.38 24.36 2.51 Favored Glycine 0 C--N 1.363 2.032 0 O-C-N 120.932 -1.105 . . . . 0.0 112.947 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -175.36 173.36 2.53 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 103.29 -2.856 . . . . 0.0 103.29 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -116.97 26.93 9.45 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 119.899 1.227 . . . . 0.0 111.438 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . 0.264 4.1 t 58.6 57.06 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.277 0 C-N-CA 129.304 3.042 . . . . 0.0 115.511 177.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.629 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 -179.042 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 N--CA 1.44 -0.975 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -143.74 -81.22 0.18 Allowed 'General case' 0 C--N 1.348 0.541 0 N-CA-C 105.61 -1.996 . . . . 0.0 105.61 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -85.28 69.57 10.75 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 125.627 1.571 . . . . 0.0 110.435 176.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -94.18 162.53 13.82 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 126.119 1.767 . . . . 0.0 114.846 -175.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -162.7 -177.67 5.71 Favored 'General case' 0 C--N 1.349 0.561 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 177.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -96.06 -18.04 20.49 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.615 1.566 . . . . 0.0 113.488 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -116.61 132.55 56.65 Favored 'General case' 0 C--N 1.362 1.146 0 C-N-CA 124.93 1.292 . . . . 0.0 111.213 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 m -111.01 116.5 52.68 Favored 'Isoleucine or valine' 0 C--N 1.37 1.459 0 C-N-CA 128.526 2.73 . . . . 0.0 107.735 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.92 168.29 17.83 Favored 'Isoleucine or valine' 0 C--N 1.359 1.0 0 C-N-CA 126.008 1.723 . . . . 0.0 112.555 -175.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.9 m -116.64 125.53 51.91 Favored 'General case' 0 C--N 1.38 1.894 0 C-N-CA 124.365 1.066 . . . . 0.0 110.715 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -110.04 125.36 52.85 Favored 'General case' 0 C--N 1.36 1.036 0 C-N-CA 125.074 1.35 . . . . 0.0 110.296 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -133.25 164.9 26.03 Favored 'General case' 0 C--N 1.374 1.65 0 C-N-CA 126.251 1.82 . . . . 0.0 110.722 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 89.8 p -141.56 159.81 41.45 Favored 'General case' 0 C--N 1.368 1.403 0 CA-C-O 122.931 1.348 . . . . 0.0 113.652 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -119.2 116.12 25.64 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 100.498 -3.889 . . . . 0.0 100.498 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.46 148.18 29.75 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.776 0 O-C-N 121.1 -1.0 . . . . 0.0 111.13 -168.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.05 176.19 7.2 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 126.901 2.08 . . . . 0.0 112.043 -176.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.1 mp0 -109.44 -24.09 11.2 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 128.346 2.658 . . . . 0.0 109.079 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.9 t -163.57 -169.99 2.09 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 104.817 -2.29 . . . . 0.0 104.817 175.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -54.09 -44.9 71.61 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 128.186 2.594 . . . . 0.0 116.011 -177.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 154.87 -26.01 0.64 Allowed Glycine 0 CA--C 1.488 -1.622 0 N-CA-C 110.16 -1.176 . . . . 0.0 110.16 176.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 62.38 -83.66 0.02 OUTLIER 'General case' 0 C--N 1.37 1.463 0 C-N-CA 128.8 2.84 . . . . 0.0 113.664 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -149.08 18.36 1.2 Allowed Glycine 0 C--N 1.349 1.253 0 N-CA-C 109.219 -1.552 . . . . 0.0 109.219 170.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.63 -51.33 0.5 Allowed Glycine 0 CA--C 1.49 -1.524 0 O-C-N 121.282 -1.129 . . . . 0.0 110.576 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . 0.271 4.0 mppt? 74.48 62.12 0.07 Allowed 'General case' 0 C--N 1.364 1.234 0 C-N-CA 128.035 2.534 . . . . 0.0 110.304 -177.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 25.6 m -97.53 103.71 15.67 Favored 'General case' 0 C--N 1.358 0.969 0 CA-C-O 121.947 0.88 . . . . 0.0 111.909 -174.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -125.28 127.43 46.68 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 127.166 2.186 . . . . 0.0 105.319 176.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -112.15 135.87 52.25 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 125.596 1.558 . . . . 0.0 112.2 -173.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -92.57 120.52 33.1 Favored 'General case' 0 C--N 1.362 1.138 0 C-N-CA 125.737 1.615 . . . . 0.0 111.654 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.0 m -142.64 170.23 11.7 Favored 'Isoleucine or valine' 0 C--N 1.366 1.311 0 C-N-CA 127.026 2.131 . . . . 0.0 106.98 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -87.37 146.99 25.66 Favored 'General case' 0 C--N 1.367 1.351 0 C-N-CA 126.847 2.059 . . . . 0.0 109.555 173.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -96.09 -57.91 2.22 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 125.531 1.533 . . . . 0.0 109.833 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 101' ' ' ARG . 7.3 p90 -167.16 171.96 10.41 Favored 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 104.378 -2.453 . . . . 0.0 104.378 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.4 p -130.02 132.58 46.29 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 101.122 -3.659 . . . . 0.0 101.122 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.73 164.67 36.86 Favored 'General case' 0 C--N 1.35 0.628 0 N-CA-C 118.231 2.678 . . . . 0.0 118.231 -173.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.74 119.67 34.64 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 127.263 2.225 . . . . 0.0 107.866 171.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -167.23 168.09 13.68 Favored 'General case' 0 CA--C 1.495 -1.144 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -103.04 106.92 17.54 Favored 'General case' 0 C--N 1.362 1.135 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 171.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.604 HG12 ' CE2' ' A' ' 110' ' ' TYR . 1.9 t -121.82 105.89 17.17 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 1 N-CA-C 98.426 -4.657 . . . . 0.0 98.426 -176.764 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -137.16 142.99 40.04 Favored Pre-proline 0 C--N 1.365 1.245 0 O-C-N 120.195 -1.566 . . . . 0.0 111.746 -169.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -68.75 139.1 42.98 Favored 'Trans proline' 0 C--N 1.371 1.723 0 C-N-CA 124.749 3.633 . . . . 0.0 113.655 175.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.557 0.0 OUTLIER 64.67 -165.12 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 C-N-CA 131.05 3.74 . . . . 0.0 117.489 -178.541 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.9 p -118.72 88.94 3.02 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 126.831 2.052 . . . . 0.0 113.295 -171.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -128.05 138.56 52.61 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 124.496 1.118 . . . . 0.0 113.617 -178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -101.33 7.72 42.65 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 126.458 1.903 . . . . 0.0 112.347 178.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 67.32 -59.29 0.4 Allowed 'General case' 0 C--N 1.362 1.134 0 C-N-CA 129.308 3.043 . . . . 0.0 116.675 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -93.35 -28.54 16.12 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 127.187 2.195 . . . . 0.0 113.07 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -94.87 64.48 2.88 Favored 'General case' 0 C--N 1.363 1.188 0 C-N-CA 124.691 1.196 . . . . 0.0 112.218 -175.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -110.63 88.12 2.7 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 127.957 2.503 . . . . 0.0 108.854 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.0 -2.61 29.26 Favored 'General case' 0 C--N 1.359 1.003 0 C-N-CA 126.288 1.835 . . . . 0.0 109.378 175.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . 0.275 9.1 mm100 82.82 42.45 0.03 OUTLIER 'General case' 0 C--N 1.355 0.84 0 C-N-CA 131.482 3.913 . . . . 0.0 111.599 -176.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -75.03 37.9 0.12 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 127.615 2.366 . . . . 0.0 114.837 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 tp 78.54 -161.07 0.03 OUTLIER 'General case' 0 C--N 1.357 0.924 0 C-N-CA 129.846 3.259 . . . . 0.0 115.261 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -173.62 161.47 3.97 Favored 'General case' 0 C--N 1.36 1.037 0 C-N-CA 127.206 2.202 . . . . 0.0 106.57 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.1 m -106.14 133.61 20.14 Favored Pre-proline 0 C--N 1.361 1.092 0 CA-C-O 116.713 -1.613 . . . . 0.0 108.624 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -79.51 123.62 5.49 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 CA-C-N 125.112 2.862 . . . . 0.0 109.742 169.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.9 mt 72.52 81.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.367 1.357 0 C-N-CA 126.608 1.963 . . . . 0.0 112.972 177.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -163.98 163.93 36.2 Favored Glycine 0 C--N 1.36 1.875 0 O-C-N 119.398 -2.064 . . . . 0.0 112.293 -176.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -128.91 143.1 50.79 Favored 'General case' 0 CA--C 1.494 -1.198 0 C-N-CA 127.046 2.138 . . . . 0.0 109.704 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.531 HD21 ' HE ' ' A' ' 132' ' ' ARG . 0.4 OUTLIER -143.13 121.15 12.08 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 102.665 -3.087 . . . . 0.0 102.665 173.481 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -133.9 152.24 34.19 Favored 'Isoleucine or valine' 0 C--N 1.36 1.025 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 -168.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . 0.296 0.1 OUTLIER -129.77 128.98 43.49 Favored 'General case' 0 C--N 1.373 1.601 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 166.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.9 t -139.04 158.96 68.69 Favored Pre-proline 0 C--N 1.353 0.732 0 C-N-CA 127.476 2.31 . . . . 0.0 107.706 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -65.92 142.81 70.45 Favored 'Trans proline' 0 CA--C 1.554 1.494 0 C-N-CA 124.012 3.141 . . . . 0.0 111.175 162.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.263 0.6 OUTLIER 2.43 22.11 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.107 2 C-N-CA 136.306 5.842 . . . . 0.0 125.668 -174.761 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -103.27 134.85 45.98 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 126.888 2.075 . . . . 0.0 110.979 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.406 ' HA ' HD11 ' A' ' 133' ' ' ILE . 1.0 OUTLIER -107.14 19.94 19.7 Favored 'General case' 0 C--N 1.364 1.2 0 C-N-CA 127.446 2.299 . . . . 0.0 108.913 175.406 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.45 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 58.5 mtp180 -102.23 1.1 35.49 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 118.796 2.888 . . . . 0.0 118.796 -164.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . 0.33 0.2 OUTLIER -78.04 -64.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.375 1.717 0 CA-C-N 123.125 2.693 . . . . 0.0 113.529 177.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -120.26 112.63 19.29 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 125.512 1.525 . . . . 0.0 110.687 -176.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 78.9 tttt 168.63 60.83 0.0 OUTLIER 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.981 -1.859 . . . . 0.0 105.981 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . 0.277 22.3 tptm 76.06 48.45 0.08 Allowed 'General case' 0 C--N 1.371 1.513 0 CA-C-O 125.064 2.364 . . . . 0.0 110.775 -176.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -141.04 -177.9 5.32 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 111.779 -2.464 . . . . 0.0 107.871 -175.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -145.0 131.07 19.33 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.685 1.594 . . . . 0.0 108.768 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.322 1.0 OUTLIER -130.59 161.68 40.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 O-C-N 119.12 -2.237 . . . . 0.0 109.638 177.463 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.497 HG22 ' H ' ' A' ' 112' ' ' GLY . 5.9 mt -118.13 108.1 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 CA-C-N 111.506 -2.588 . . . . 0.0 107.585 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.604 ' CE2' HG12 ' A' ' 72' ' ' VAL . 12.6 m-85 -94.23 82.82 4.15 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 126.652 1.981 . . . . 0.0 107.573 173.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 56.04 46.74 21.16 Favored 'General case' 0 C--N 1.365 1.241 0 C-N-CA 127.398 2.279 . . . . 0.0 116.795 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.497 ' H ' HG22 ' A' ' 109' ' ' ILE . . . 92.96 4.01 65.34 Favored Glycine 0 C--N 1.361 1.928 0 C-N-CA 126.421 1.963 . . . . 0.0 116.641 -174.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -99.52 104.6 16.43 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 125.642 1.577 . . . . 0.0 109.686 178.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.628 ' H ' HD13 ' A' ' 114' ' ' ILE . 0.2 OUTLIER -93.3 110.15 22.81 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 C-N-CA 126.904 2.081 . . . . 0.0 112.755 -176.167 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 36.1 t -130.7 138.47 53.59 Favored 'Isoleucine or valine' 0 C--N 1.37 1.484 0 C-N-CA 124.779 1.232 . . . . 0.0 109.597 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 26.4 m -105.25 131.52 52.62 Favored 'General case' 0 C--N 1.379 1.884 0 C-N-CA 129.638 3.175 . . . . 0.0 107.595 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -160.33 163.89 32.94 Favored 'General case' 0 C--N 1.365 1.25 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -171.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 13.9 tt -125.75 143.67 38.47 Favored 'Isoleucine or valine' 0 C--N 1.362 1.14 0 C-N-CA 127.918 2.487 . . . . 0.0 106.032 173.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -168.82 -169.57 32.38 Favored Glycine 0 C--N 1.365 2.164 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 -169.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -130.98 129.75 22.65 Favored Pre-proline 0 C--N 1.368 1.372 0 C-N-CA 125.379 1.472 . . . . 0.0 113.779 -174.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -99.87 148.18 0.46 Allowed 'Trans proline' 0 C--N 1.365 1.4 0 C-N-CA 124.597 3.531 . . . . 0.0 114.445 177.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 13.4 p -132.99 133.23 58.9 Favored 'Isoleucine or valine' 0 C--N 1.364 1.232 0 C-N-CA 125.939 1.696 . . . . 0.0 110.197 169.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -102.09 156.16 17.73 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 126.961 2.104 . . . . 0.0 110.047 173.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 40.5 mt -86.31 -3.11 58.92 Favored 'General case' 0 C--N 1.361 1.076 0 O-C-N 119.63 -1.919 . . . . 0.0 113.585 176.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . 0.354 88.8 p 91.88 -94.69 0.0 OUTLIER 'General case' 0 C--N 1.358 0.949 1 C-N-CA 131.982 4.113 . . . . 0.0 108.776 -176.742 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -128.14 4.71 6.83 Favored Glycine 0 C--N 1.354 1.538 0 C-N-CA 125.803 1.668 . . . . 0.0 112.258 171.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 58.8 mt -82.73 57.03 3.6 Favored 'General case' 0 C--N 1.365 1.243 0 O-C-N 119.929 -1.924 . . . . 0.0 112.733 -177.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 93.3 126.52 0.02 OUTLIER 'General case' 0 C--N 1.367 1.359 0 C-N-CA 131.599 3.96 . . . . 0.0 106.349 -171.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -69.5 52.52 0.1 Allowed 'General case' 0 C--N 1.36 1.056 0 C-N-CA 127.56 2.344 . . . . 0.0 115.995 -176.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 7.9 pt -121.93 137.2 56.32 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 CA-C-O 123.616 1.674 . . . . 0.0 109.587 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.7 p -113.13 142.27 45.95 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 130.136 3.374 . . . . 0.0 107.94 176.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.531 ' HE ' HD21 ' A' ' 93' ' ' ASN . 77.6 ttt180 -115.71 136.09 53.4 Favored 'General case' 0 C--N 1.363 1.177 0 N-CA-C 105.963 -1.866 . . . . 0.0 105.963 175.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' A' ' 100' ' ' ASP . 5.3 mm -121.06 130.85 74.25 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 N-CA-C 105.672 -1.973 . . . . 0.0 105.672 177.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -123.15 108.24 12.63 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 128.014 2.526 . . . . 0.0 104.222 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -134.44 124.2 3.44 Favored Glycine 0 C--N 1.355 1.586 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -131.49 153.07 50.17 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 -176.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -125.16 145.14 50.09 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 122.489 1.137 . . . . 0.0 110.069 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -101.38 56.06 0.83 Allowed 'General case' 0 C--N 1.358 0.949 0 C-N-CA 125.594 1.558 . . . . 0.0 109.098 177.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 119.51 -136.85 12.1 Favored Glycine 0 C--N 1.354 1.57 0 N-CA-C 108.456 -1.858 . . . . 0.0 108.456 -176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . 71.96 -64.53 0.39 Allowed 'General case' 0 C--N 1.357 0.928 0 C-N-CA 127.781 2.432 . . . . 0.0 117.362 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -103.24 71.46 1.11 Allowed 'General case' 0 C--N 1.36 1.065 0 CA-C-O 123.391 1.567 . . . . 0.0 110.39 -176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 3.8 p -145.62 123.65 4.81 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 N-CA-C 107.173 -1.418 . . . . 0.0 107.173 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.395 0 N-CA-C 107.44 -2.264 . . . . 0.0 107.44 -179.171 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 72.9 mtm . . . . . 0 N--CA 1.442 -0.868 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . 0.252 3.7 t80 79.17 43.07 0.07 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 129.941 3.296 . . . . 0.0 112.918 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -82.4 47.25 1.13 Allowed 'General case' 0 C--N 1.359 0.989 0 O-C-N 119.773 -1.83 . . . . 0.0 114.562 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -134.45 -112.03 0.21 Allowed 'General case' 0 C--N 1.355 0.805 0 C-N-CA 126.818 2.047 . . . . 0.0 110.02 -178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -167.43 -176.66 3.31 Favored 'General case' 0 C--N 1.368 1.412 0 C-N-CA 126.047 1.739 . . . . 0.0 109.731 -178.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -93.88 -13.05 27.63 Favored 'General case' 0 C--N 1.364 1.224 0 C-N-CA 127.342 2.257 . . . . 0.0 113.624 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -131.19 140.21 49.86 Favored 'General case' 0 C--N 1.363 1.169 0 O-C-N 120.243 -1.536 . . . . 0.0 109.818 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.1 m -97.72 116.49 40.39 Favored 'Isoleucine or valine' 0 C--N 1.363 1.192 0 C-N-CA 126.083 1.753 . . . . 0.0 106.899 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.4 mm -98.5 157.97 3.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.706 0 C-N-CA 128.253 2.621 . . . . 0.0 111.068 -168.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.8 m -121.07 118.96 31.1 Favored 'General case' 0 C--N 1.368 1.372 0 O-C-N 120.56 -1.337 . . . . 0.0 108.564 -177.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.419 ' CD1' ' CZ ' ' A' ' 66' ' ' PHE . 97.3 m-85 -112.21 127.51 55.97 Favored 'General case' 0 C--N 1.363 1.195 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -126.87 148.9 49.97 Favored 'General case' 0 C--N 1.38 1.909 0 C-N-CA 127.756 2.422 . . . . 0.0 109.795 177.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.1 t -127.71 161.06 29.81 Favored 'General case' 0 C--N 1.371 1.542 0 O-C-N 119.484 -2.01 . . . . 0.0 111.258 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -109.52 118.71 37.34 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 125.834 1.653 . . . . 0.0 107.786 176.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 81.7 t -101.65 133.66 44.42 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 C-N-CA 126.274 1.829 . . . . 0.0 109.888 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -154.84 -177.47 6.53 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -115.79 31.81 6.48 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-N 119.904 1.229 . . . . 0.0 110.972 -176.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.3 t 75.33 46.27 0.12 Allowed 'General case' 0 C--N 1.366 1.3 0 C-N-CA 127.069 2.148 . . . . 0.0 114.473 177.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.03 136.47 33.72 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 120.769 -1.207 . . . . 0.0 111.177 -177.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.75 -89.61 0.08 OUTLIER Glycine 0 C--N 1.36 1.883 0 N-CA-C 118.37 2.108 . . . . 0.0 118.37 -176.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -108.59 123.71 49.36 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 125.057 1.343 . . . . 0.0 111.375 -175.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.38 23.68 58.17 Favored Glycine 0 C--N 1.365 2.153 0 C-N-CA 126.068 1.794 . . . . 0.0 114.928 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.97 56.99 4.35 Favored Glycine 0 C--N 1.356 1.669 0 C-N-CA 126.322 1.915 . . . . 0.0 115.528 -175.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp 30.26 -28.02 0.0 OUTLIER 'General case' 0 C--N 1.359 0.982 2 C-N-CA 136.28 5.832 . . . . 0.0 123.159 176.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.8 m -154.18 113.73 3.78 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 119.284 -2.135 . . . . 0.0 109.707 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -126.25 140.94 52.14 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 103.967 -2.605 . . . . 0.0 103.967 173.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.4 ttmp? -141.72 149.32 40.35 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 124.624 1.17 . . . . 0.0 110.547 -174.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -114.02 124.41 52.07 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 127.591 2.356 . . . . 0.0 106.387 178.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 68.5 t -133.98 137.83 51.48 Favored 'Isoleucine or valine' 0 C--N 1.361 1.084 0 C-N-CA 127.76 2.424 . . . . 0.0 106.803 -175.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.98 130.19 36.92 Favored 'General case' 0 C--N 1.366 1.31 0 C-N-CA 126.186 1.794 . . . . 0.0 108.208 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -83.52 -59.65 2.38 Favored 'General case' 0 C--N 1.362 1.109 0 CA-C-O 122.536 1.16 . . . . 0.0 113.81 -172.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.419 ' CZ ' ' CD1' ' A' ' 45' ' ' PHE . 8.5 p90 -170.08 179.54 3.51 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 -174.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.8 t -139.24 132.77 30.35 Favored 'General case' 0 N--CA 1.445 -0.69 1 N-CA-C 99.892 -4.114 . . . . 0.0 99.892 169.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.56 162.65 39.74 Favored 'General case' 0 CA--C 1.504 -0.819 0 O-C-N 121.533 -0.73 . . . . 0.0 111.753 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.92 116.11 21.41 Favored 'General case' 0 C--N 1.364 1.231 0 O-C-N 120.636 -1.29 . . . . 0.0 107.528 177.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -162.38 156.31 21.14 Favored 'General case' 0 CA--C 1.495 -1.16 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 -167.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -108.82 107.24 17.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 106.442 -1.688 . . . . 0.0 106.442 174.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.655 HG21 HG21 ' A' ' 108' ' ' VAL . 10.9 t -106.98 99.23 8.15 Favored 'Isoleucine or valine' 0 C--N 1.373 1.604 0 N-CA-C 100.937 -3.727 . . . . 0.0 100.937 176.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -116.29 157.94 44.16 Favored Pre-proline 0 C--N 1.367 1.34 0 O-C-N 118.385 -2.697 . . . . 0.0 110.558 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.31 155.18 60.84 Favored 'Trans proline' 0 CA--C 1.549 1.231 0 CA-C-N 126.915 3.505 . . . . 0.0 113.639 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.358 13.1 tt -51.56 102.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.376 1.74 0 C-N-CA 127.206 2.202 . . . . 0.0 116.717 -178.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.0 p -105.98 -101.19 0.34 Allowed 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 129.694 3.198 . . . . 0.0 109.482 -174.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -170.97 -178.98 2.63 Favored 'General case' 0 C--N 1.357 0.912 0 C-N-CA 124.632 1.173 . . . . 0.0 110.539 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -100.5 -5.84 26.37 Favored 'General case' 0 C--N 1.361 1.106 0 C-N-CA 129.071 2.948 . . . . 0.0 113.586 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . 0.277 52.3 mm-40 80.81 -57.84 0.3 Allowed 'General case' 0 C--N 1.365 1.243 0 C-N-CA 128.802 2.841 . . . . 0.0 112.098 -173.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -81.88 4.32 22.85 Favored 'General case' 0 C--N 1.365 1.272 0 C-N-CA 127.833 2.453 . . . . 0.0 114.259 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -161.01 145.04 13.47 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 127.81 2.444 . . . . 0.0 106.802 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -156.01 139.94 16.29 Favored 'General case' 0 C--N 1.358 0.975 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 175.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.76 -62.33 1.27 Allowed 'General case' 0 C--N 1.36 1.048 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 171.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 72.6 -139.94 0.04 OUTLIER 'General case' 0 C--N 1.364 1.216 0 C-N-CA 128.011 2.525 . . . . 0.0 113.246 -179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . 0.349 3.6 mp0 82.11 155.11 0.12 Allowed 'General case' 0 C--N 1.367 1.337 0 C-N-CA 130.47 3.508 . . . . 0.0 114.907 178.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.6 mt -92.05 -6.21 51.44 Favored 'General case' 0 C--N 1.367 1.359 0 C-N-CA 126.264 1.826 . . . . 0.0 112.418 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -89.85 -18.47 26.14 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 129.674 3.19 . . . . 0.0 111.149 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.7 m -83.26 111.79 33.79 Favored Pre-proline 0 C--N 1.364 1.196 0 C-N-CA 128.655 2.782 . . . . 0.0 109.328 176.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -73.3 139.29 28.87 Favored 'Trans proline' 0 C--N 1.367 1.539 0 C-N-CA 124.994 3.796 . . . . 0.0 112.79 -177.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.412 ' H ' HD12 ' A' ' 90' ' ' ILE . 2.3 mp -54.6 133.91 17.81 Favored 'Isoleucine or valine' 0 C--N 1.372 1.578 0 C-N-CA 127.126 2.171 . . . . 0.0 115.524 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -150.44 -172.76 19.99 Favored Glycine 0 C--N 1.356 1.653 0 N-CA-C 107.195 -2.362 . . . . 0.0 107.195 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -114.53 155.29 26.72 Favored 'General case' 0 C--N 1.362 1.127 0 CA-C-O 124.168 1.937 . . . . 0.0 111.485 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . 0.281 2.6 t30 -123.7 119.13 28.89 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 102.51 -3.144 . . . . 0.0 102.51 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.495 HG12 HG22 ' A' ' 72' ' ' VAL . 3.6 mp -140.51 146.78 23.86 Favored 'Isoleucine or valine' 0 C--N 1.361 1.098 0 O-C-N 119.725 -1.859 . . . . 0.0 111.069 -172.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.01 140.3 48.89 Favored 'General case' 0 C--N 1.365 1.266 0 C-N-CA 125.07 1.348 . . . . 0.0 107.529 163.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.0 t -139.45 148.18 55.42 Favored Pre-proline 0 C--N 1.362 1.14 0 N-CA-C 103.286 -2.857 . . . . 0.0 103.286 170.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -64.16 126.57 17.38 Favored 'Trans proline' 0 C--N 1.365 1.43 0 C-N-CA 125.084 3.856 . . . . 0.0 110.433 172.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.298 0.6 OUTLIER 34.76 13.88 0.0 OUTLIER 'General case' 0 C--N 1.356 0.857 2 C-N-CA 134.332 5.053 . . . . 0.0 122.794 -176.248 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -104.24 122.94 46.42 Favored 'General case' 0 C--N 1.355 0.832 0 O-C-N 119.947 -1.721 . . . . 0.0 111.966 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.442 ' HA ' HG21 ' A' ' 131' ' ' THR . 3.1 m-20 -96.7 25.77 4.97 Favored 'General case' 0 C--N 1.358 0.977 0 C-N-CA 126.445 1.898 . . . . 0.0 112.212 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -94.07 -49.64 5.68 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 116.384 -1.77 . . . . 0.0 112.39 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.459 HD12 HG22 ' A' ' 133' ' ' ILE 0.317 1.3 pt 15.25 -87.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.381 1.957 1 C-N-CA 132.203 4.201 . . . . 0.0 120.124 170.299 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -135.76 113.23 10.74 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 122.538 1.161 . . . . 0.0 108.366 168.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -142.09 -73.52 0.31 Allowed 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 104.162 -2.533 . . . . 0.0 104.162 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -128.75 66.19 1.42 Allowed 'General case' 0 C--N 1.358 0.967 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 171.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.455 ' O ' ' HA ' ' A' ' 117' ' ' PHE 0.315 17.8 ptp -155.25 156.85 36.32 Favored 'General case' 0 C--N 1.364 1.198 0 N-CA-C 120.565 3.543 . . . . 0.0 120.565 -177.664 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -93.96 101.55 13.61 Favored 'General case' 0 C--N 1.358 0.975 1 C-N-CA 131.903 4.081 . . . . 0.0 105.632 -179.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.655 HG21 HG21 ' A' ' 72' ' ' VAL . 1.5 p -107.0 137.58 37.16 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.258 0 CA-C-O 122.534 1.159 . . . . 0.0 108.722 -175.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 48.5 mt -103.89 105.37 18.29 Favored 'Isoleucine or valine' 0 C--N 1.363 1.182 0 N-CA-C 103.767 -2.679 . . . . 0.0 103.767 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -99.16 111.76 24.07 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 126.2 1.8 . . . . 0.0 107.116 173.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 52.39 32.96 12.02 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 117.674 2.472 . . . . 0.0 117.674 175.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.83 3.96 65.64 Favored Glycine 0 C--N 1.359 1.816 0 C-N-CA 127.244 2.354 . . . . 0.0 116.236 -174.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -109.1 122.81 48.07 Favored 'General case' 0 C--N 1.361 1.087 0 CA-C-N 119.806 1.803 . . . . 0.0 110.651 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.2 mp -86.06 105.65 14.77 Favored 'Isoleucine or valine' 0 C--N 1.372 1.549 0 C-N-CA 125.404 1.482 . . . . 0.0 108.822 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 34.9 m -129.7 162.98 36.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 -168.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . 0.689 14.7 t 71.49 -89.75 0.03 OUTLIER 'General case' 0 C--N 1.378 1.818 2 N-CA-C 128.016 6.302 . . . . 0.0 128.016 168.018 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.455 ' HA ' ' O ' ' A' ' 106' ' ' MET 0.671 3.1 m-85 103.56 -74.34 0.0 OUTLIER 'General case' 0 C--N 1.374 1.65 0 N-CA-C 118.725 2.861 . . . . 0.0 118.725 -170.558 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 32.6 pt -104.6 144.17 14.99 Favored 'Isoleucine or valine' 0 C--N 1.366 1.288 0 N-CA-C 117.75 2.5 . . . . 0.0 117.75 -172.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.569 ' HA3' HD11 ' A' ' 133' ' ' ILE . . . -170.94 -179.26 42.04 Favored Glycine 0 C--N 1.361 1.925 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 173.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -127.97 101.44 22.93 Favored Pre-proline 0 CA--C 1.552 1.035 0 C-N-CA 126.092 1.757 . . . . 0.0 109.855 176.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -78.88 137.49 14.03 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 124.871 3.714 . . . . 0.0 114.842 -178.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.1 t -125.36 121.49 60.59 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 C-N-CA 127.224 2.21 . . . . 0.0 108.965 -177.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -87.73 108.92 19.35 Favored 'General case' 0 C--N 1.361 1.105 0 O-C-N 120.56 -1.337 . . . . 0.0 110.443 176.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.49 -36.16 24.32 Favored 'General case' 0 C--N 1.366 1.317 0 O-C-N 120.495 -1.378 . . . . 0.0 111.902 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.2 t 68.59 -61.37 0.41 Allowed 'General case' 0 C--N 1.36 1.022 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -74.53 48.0 1.82 Allowed Glycine 0 C--N 1.366 2.215 0 C-N-CA 126.564 2.031 . . . . 0.0 116.052 176.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 23.3 tp -158.92 47.64 0.32 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 177.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . 0.298 6.4 mm100 73.44 33.31 1.11 Allowed 'General case' 0 C--N 1.36 1.028 0 C-N-CA 129.535 3.134 . . . . 0.0 117.255 178.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . 0.263 6.9 mp0 72.83 46.77 0.24 Allowed 'General case' 0 C--N 1.368 1.386 0 C-N-CA 128.548 2.739 . . . . 0.0 112.416 178.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 1.7 pp -107.75 142.67 19.86 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 CA-C-O 123.343 1.544 . . . . 0.0 113.562 -176.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.442 HG21 ' HA ' ' A' ' 100' ' ' ASP . 71.4 m -112.24 132.31 55.0 Favored 'General case' 0 C--N 1.364 1.206 0 C-N-CA 128.165 2.586 . . . . 0.0 107.954 173.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -124.46 138.85 54.31 Favored 'General case' 0 C--N 1.359 1.005 0 C-N-CA 126.88 2.072 . . . . 0.0 111.889 -173.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.569 HD11 ' HA3' ' A' ' 119' ' ' GLY . 0.0 OUTLIER -134.23 143.95 36.69 Favored 'Isoleucine or valine' 0 C--N 1.358 0.937 0 O-C-N 120.182 -1.574 . . . . 0.0 109.768 174.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -126.49 108.15 10.9 Favored 'General case' 0 C--N 1.364 1.213 0 N-CA-C 106.238 -1.764 . . . . 0.0 106.238 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -117.4 144.25 18.23 Favored Glycine 0 C--N 1.358 1.782 0 C-N-CA 125.269 1.414 . . . . 0.0 113.796 -176.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -133.78 151.89 51.71 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 129.162 2.985 . . . . 0.0 104.329 177.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -94.03 149.16 21.49 Favored 'General case' 0 C--N 1.363 1.167 0 O-C-N 120.86 -1.15 . . . . 0.0 111.588 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 83.85 79.28 0.02 OUTLIER 'General case' 0 C--N 1.363 1.178 0 C-N-CA 128.875 2.87 . . . . 0.0 110.821 -174.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -67.58 54.01 0.33 Allowed Glycine 0 C--N 1.361 1.965 0 N-CA-C 121.241 3.256 . . . . 0.0 121.241 -168.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -96.66 2.68 52.41 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 127.024 2.13 . . . . 0.0 110.631 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -82.05 34.54 0.41 Allowed 'General case' 0 C--N 1.358 0.975 0 C-N-CA 129.847 3.259 . . . . 0.0 113.663 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 4.1 t -101.31 60.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.965 0 C-N-CA 127.529 2.332 . . . . 0.0 108.662 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.358 1.797 0 C-N-CA 125.621 1.581 . . . . 0.0 113.155 -178.692 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.439 -0.99 0 CA-C-O 122.091 0.948 . . . . 0.0 108.769 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -64.48 51.11 0.02 OUTLIER 'General case' 0 C--N 1.355 0.827 0 C-N-CA 130.227 3.411 . . . . 0.0 118.533 -175.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 73.93 86.46 0.1 Allowed 'General case' 0 C--N 1.36 1.039 0 C-N-CA 129.041 2.936 . . . . 0.0 115.347 176.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.03 65.34 0.75 Allowed 'General case' 0 C--N 1.355 0.844 0 CA-C-O 123.936 1.827 . . . . 0.0 109.333 178.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -133.31 34.93 3.49 Favored 'General case' 0 C--N 1.349 0.56 0 C-N-CA 126.296 1.839 . . . . 0.0 107.369 174.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -126.95 61.9 1.34 Allowed 'General case' 0 C--N 1.359 1.018 0 O-C-N 120.775 -1.203 . . . . 0.0 113.39 -175.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -148.92 170.54 18.07 Favored 'General case' 0 C--N 1.362 1.145 0 O-C-N 119.408 -2.058 . . . . 0.0 110.447 176.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.3 t -97.62 128.17 49.22 Favored 'Isoleucine or valine' 0 C--N 1.364 1.208 0 C-N-CA 128.008 2.523 . . . . 0.0 107.573 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.9 pt -132.11 168.21 24.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 O-C-N 118.957 -2.34 . . . . 0.0 111.823 -177.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 47.8 m -113.29 124.3 52.17 Favored 'General case' 0 C--N 1.378 1.823 0 C-N-CA 125.194 1.397 . . . . 0.0 110.775 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.559 ' CE2' HG22 ' A' ' 102' ' ' ILE . 84.9 m-85 -105.97 136.92 44.78 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 123.697 0.799 . . . . 0.0 113.136 176.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -132.62 162.98 29.92 Favored 'General case' 0 C--N 1.373 1.596 0 C-N-CA 127.444 2.297 . . . . 0.0 109.674 -177.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.6 t -141.6 161.21 38.48 Favored 'General case' 0 C--N 1.364 1.196 0 C-N-CA 125.508 1.523 . . . . 0.0 108.79 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -121.29 124.74 45.34 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 128.535 2.734 . . . . 0.0 105.757 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.2 p -145.23 151.17 15.29 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 O-C-N 120.759 -1.213 . . . . 0.0 108.002 -172.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . 0.281 28.6 tt0 91.75 76.79 0.0 OUTLIER 'General case' 0 C--N 1.368 1.377 0 C-N-CA 126.984 2.114 . . . . 0.0 114.961 176.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.17 64.46 5.92 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 127.231 2.212 . . . . 0.0 111.519 178.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.6 t -112.67 133.8 54.52 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 126.072 1.749 . . . . 0.0 110.798 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . 0.264 17.4 p-10 -94.18 159.73 15.01 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 119.775 -1.828 . . . . 0.0 112.597 173.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -124.39 45.07 1.2 Allowed Glycine 0 C--N 1.36 1.896 0 C-N-CA 127.2 2.334 . . . . 0.0 108.92 177.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . 0.259 31.5 tt0 87.67 -105.12 0.01 OUTLIER 'General case' 0 C--N 1.358 0.941 0 C-N-CA 129.389 3.076 . . . . 0.0 109.701 -177.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -102.27 53.0 0.81 Allowed Glycine 0 C--N 1.367 2.278 0 C-N-CA 126.373 1.939 . . . . 0.0 110.696 173.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.64 167.74 40.12 Favored Glycine 0 C--N 1.354 1.539 0 N-CA-C 104.816 -3.314 . . . . 0.0 104.816 -177.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.5 tttp -133.65 145.84 50.33 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 120.104 -1.821 . . . . 0.0 112.787 -174.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.8 p -119.64 104.69 10.49 Favored 'General case' 0 C--N 1.362 1.118 0 C-N-CA 125.644 1.578 . . . . 0.0 108.857 -178.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -127.61 166.38 18.17 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 125.473 1.509 . . . . 0.0 108.066 179.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -124.24 139.02 54.31 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 124.802 1.241 . . . . 0.0 109.606 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -114.22 128.92 56.59 Favored 'General case' 0 C--N 1.361 1.095 0 N-CA-C 104.268 -2.493 . . . . 0.0 104.268 174.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.5 p -143.59 157.31 16.6 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 C-N-CA 123.695 0.798 . . . . 0.0 108.955 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -95.61 135.03 37.8 Favored 'General case' 0 C--N 1.36 1.029 0 C-N-CA 127.113 2.165 . . . . 0.0 108.053 175.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -88.07 -56.07 3.49 Favored 'General case' 0 C--N 1.356 0.86 0 C-N-CA 126.172 1.789 . . . . 0.0 111.544 -175.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 101' ' ' ARG . 36.9 p90 -167.69 172.84 8.93 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 -175.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.9 m -131.44 132.5 44.36 Favored 'General case' 0 CA--C 1.505 -0.774 1 N-CA-C 99.566 -4.235 . . . . 0.0 99.566 171.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.26 165.41 35.97 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 121.848 0.832 . . . . 0.0 112.917 -175.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.77 114.24 20.28 Favored 'General case' 0 C--N 1.367 1.332 0 CA-C-O 122.448 1.118 . . . . 0.0 108.744 175.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.7 170.02 2.45 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 105.488 -2.042 . . . . 0.0 105.488 -172.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.01 128.53 16.02 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 171.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.646 HG22 HG13 ' A' ' 94' ' ' ILE . 91.4 t -105.8 99.22 8.05 Favored 'Isoleucine or valine' 0 C--N 1.37 1.475 0 C-N-CA 127.307 2.243 . . . . 0.0 106.316 177.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -102.96 129.59 25.35 Favored Pre-proline 0 C--N 1.362 1.127 0 O-C-N 120.132 -1.605 . . . . 0.0 112.966 -175.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -72.06 141.68 36.85 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 124.744 3.629 . . . . 0.0 112.595 173.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.6 pt -79.34 58.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.248 0 O-C-N 119.828 -1.795 . . . . 0.0 114.403 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 t -173.89 -152.13 0.05 Allowed 'General case' 0 C--N 1.353 0.755 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 -178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -132.25 -136.03 0.19 Allowed 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.723 -1.236 . . . . 0.0 111.584 -177.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -91.74 -28.29 17.5 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 127.059 2.144 . . . . 0.0 113.915 -174.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -105.38 80.3 1.57 Allowed 'General case' 0 C--N 1.356 0.87 0 C-N-CA 125.845 1.658 . . . . 0.0 107.449 177.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.5 p90 -91.28 -39.05 12.28 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 126.593 1.957 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.0 t80 87.42 -115.93 0.01 OUTLIER 'General case' 0 C--N 1.369 1.43 0 C-N-CA 130.071 3.348 . . . . 0.0 111.464 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -125.58 -97.44 0.42 Allowed 'General case' 0 C--N 1.35 0.621 0 N-CA-C 104.55 -2.389 . . . . 0.0 104.55 175.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -99.81 -45.21 5.81 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 122.356 1.075 . . . . 0.0 108.941 172.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? 86.19 -71.92 0.02 OUTLIER 'General case' 0 C--N 1.358 0.976 0 C-N-CA 127.893 2.477 . . . . 0.0 108.532 -177.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -141.68 -167.01 2.33 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 126.461 1.904 . . . . 0.0 107.864 176.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.6 tp -93.87 -5.25 48.42 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 126.48 1.912 . . . . 0.0 115.013 -174.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -124.17 95.23 4.47 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 102.178 -3.267 . . . . 0.0 102.178 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.1 t -155.03 150.19 20.81 Favored Pre-proline 0 C--N 1.35 0.6 0 O-C-N 120.251 -1.531 . . . . 0.0 109.354 -169.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -78.11 124.34 6.61 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 123.972 3.115 . . . . 0.0 111.655 175.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 5.7 tp -151.14 74.13 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.628 0 N-CA-C 105.119 -2.178 . . . . 0.0 105.119 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -179.72 -175.83 46.79 Favored Glycine 0 C--N 1.35 1.337 0 O-C-N 120.017 -1.677 . . . . 0.0 112.171 -176.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.458 ' CD2' HG12 ' A' ' 72' ' ' VAL . 52.9 m-85 -121.29 153.1 38.14 Favored 'General case' 0 CA--C 1.501 -0.929 0 C-N-CA 126.583 1.953 . . . . 0.0 114.231 -177.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -122.36 120.33 33.69 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 101.483 -3.525 . . . . 0.0 101.483 169.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.646 HG13 HG22 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -147.44 143.15 19.96 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 O-C-N 119.494 -2.003 . . . . 0.0 112.302 -171.458 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.17 141.52 48.41 Favored 'General case' 0 C--N 1.377 1.796 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 172.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 57.7 m -139.3 147.66 53.8 Favored Pre-proline 0 C--N 1.352 0.689 0 N-CA-C 102.886 -3.005 . . . . 0.0 102.886 167.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -75.96 135.52 17.46 Favored 'Trans proline' 0 C--N 1.357 0.985 0 CA-C-N 126.297 3.285 . . . . 0.0 110.715 177.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 19.04 -10.62 0.0 OUTLIER 'General case' 0 C--N 1.359 0.998 2 C-N-CA 138.543 6.737 . . . . 0.0 123.855 -177.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -104.44 157.75 16.94 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 128.905 2.882 . . . . 0.0 111.821 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -96.43 66.06 2.36 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 120.417 -1.427 . . . . 0.0 108.747 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 66' ' ' PHE . 59.4 mtt180 -76.47 -49.39 16.7 Favored 'General case' 0 C--N 1.369 1.44 0 C-N-CA 124.469 1.108 . . . . 0.0 112.632 -177.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.559 HG22 ' CE2' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -62.01 151.87 7.08 Favored 'Isoleucine or valine' 0 C--N 1.366 1.315 0 C-N-CA 130.791 3.636 . . . . 0.0 115.268 165.816 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -135.99 -178.92 5.36 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -175.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -82.92 -23.5 33.5 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 130.251 3.42 . . . . 0.0 114.822 -178.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -139.65 82.25 1.87 Allowed 'General case' 0 C--N 1.347 0.494 0 N-CA-C 104.875 -2.268 . . . . 0.0 104.875 177.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -144.55 168.65 19.63 Favored 'General case' 0 C--N 1.363 1.154 0 CA-C-O 122.869 1.318 . . . . 0.0 110.766 -172.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -127.89 150.98 49.63 Favored 'General case' 0 C--N 1.358 0.955 0 N-CA-C 107.181 -1.414 . . . . 0.0 107.181 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.13 149.53 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 CA-C-O 123.176 1.465 . . . . 0.0 109.521 -178.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 58.1 mt -108.49 104.06 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 N-CA-C 101.661 -3.459 . . . . 0.0 101.661 165.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -95.17 103.19 15.04 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 130.057 3.343 . . . . 0.0 107.543 173.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . 0.363 17.6 ptm180 44.08 40.43 3.45 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 129.605 3.162 . . . . 0.0 118.168 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 93.18 6.28 63.19 Favored Glycine 0 C--N 1.36 1.914 0 C-N-CA 127.534 2.492 . . . . 0.0 116.463 -176.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -108.45 125.41 51.74 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 119.655 1.728 . . . . 0.0 109.019 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 18.8 mt -97.37 106.67 18.87 Favored 'Isoleucine or valine' 0 C--N 1.367 1.365 0 C-N-CA 124.507 1.123 . . . . 0.0 109.911 -178.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 10.5 m -132.53 160.76 42.35 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 C-N-CA 125.573 1.549 . . . . 0.0 111.318 179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.8 151.54 19.55 Favored 'General case' 0 C--N 1.36 1.057 0 C-N-CA 129.788 3.235 . . . . 0.0 108.535 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -149.5 160.8 43.16 Favored 'General case' 0 C--N 1.37 1.48 0 CA-C-N 118.666 0.666 . . . . 0.0 112.424 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.451 HD13 ' H ' ' A' ' 118' ' ' ILE . 0.1 OUTLIER -133.16 170.94 18.98 Favored 'Isoleucine or valine' 0 C--N 1.374 1.655 0 C-N-CA 127.675 2.39 . . . . 0.0 108.818 179.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 126.19 157.79 9.69 Favored Glycine 0 C--N 1.367 2.275 0 O-C-N 120.654 -1.279 . . . . 0.0 114.917 171.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -103.35 123.87 40.17 Favored Pre-proline 0 C--N 1.359 1.014 0 C-N-CA 125.937 1.695 . . . . 0.0 111.153 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.9 132.35 10.6 Favored 'Trans proline' 0 C--N 1.36 1.181 0 C-N-CA 124.73 3.62 . . . . 0.0 113.35 175.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 7.4 p -132.93 144.14 37.45 Favored 'Isoleucine or valine' 0 C--N 1.355 0.819 0 C-N-CA 124.803 1.241 . . . . 0.0 109.477 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -101.71 102.14 12.76 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 125.949 1.7 . . . . 0.0 111.51 173.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.402 ' H ' ' HD3' ' A' ' 132' ' ' ARG . 3.6 mm? -82.09 -3.13 54.06 Favored 'General case' 0 C--N 1.371 1.523 0 O-C-N 119.373 -2.079 . . . . 0.0 111.758 176.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 48.5 m -159.62 105.26 1.63 Allowed 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.812 2.045 . . . . 0.0 108.907 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -88.59 9.87 74.18 Favored Glycine 0 C--N 1.367 2.259 0 C-N-CA 127.189 2.328 . . . . 0.0 114.484 176.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 79.0 mt -100.08 -30.15 12.11 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 130.021 3.328 . . . . 0.0 110.299 175.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -85.07 -19.22 32.25 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 126.825 2.05 . . . . 0.0 113.747 -178.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 72.53 39.21 0.73 Allowed 'General case' 0 C--N 1.368 1.413 0 C-N-CA 129.064 2.946 . . . . 0.0 113.845 -178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.0 tt -128.97 125.31 62.65 Favored 'Isoleucine or valine' 0 C--N 1.357 0.901 0 O-C-N 120.058 -1.652 . . . . 0.0 110.927 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.26 117.08 31.84 Favored 'General case' 0 C--N 1.37 1.494 0 N-CA-C 103.573 -2.751 . . . . 0.0 103.573 166.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.402 ' HD3' ' H ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -112.93 137.08 51.85 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 125.178 1.391 . . . . 0.0 108.94 -176.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.92 136.5 58.78 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -178.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -128.0 116.39 19.97 Favored 'General case' 0 N--CA 1.443 -0.799 1 N-CA-C 99.369 -4.308 . . . . 0.0 99.369 170.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.21 131.65 4.17 Favored Glycine 0 C--N 1.353 1.518 0 N-CA-C 109.521 -1.431 . . . . 0.0 109.521 -176.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -145.63 168.72 19.98 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-N 117.983 0.892 . . . . 0.0 110.253 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -96.18 129.55 43.46 Favored 'General case' 0 C--N 1.358 0.948 0 C-N-CA 125.779 1.632 . . . . 0.0 109.548 175.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -102.83 66.19 0.92 Allowed 'General case' 0 C--N 1.356 0.885 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -173.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 61.34 -78.82 0.02 OUTLIER Glycine 0 C--N 1.361 1.939 0 C-N-CA 128.859 3.123 . . . . 0.0 118.556 172.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.36 52.08 0.75 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 128.52 2.728 . . . . 0.0 115.133 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -146.93 -44.67 0.18 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 127.14 2.176 . . . . 0.0 105.712 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 10.6 p -93.49 -37.57 8.57 Favored 'Isoleucine or valine' 0 C--N 1.365 1.262 0 C-N-CA 125.376 1.47 . . . . 0.0 112.097 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 1.854 0 O-C-N 120.733 -1.229 . . . . 0.0 111.455 178.619 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.6 mmt . . . . . 0 N--CA 1.442 -0.832 0 CA-C-O 121.951 0.881 . . . . 0.0 109.048 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -122.07 128.01 50.86 Favored 'General case' 0 C--N 1.352 0.693 0 C-N-CA 125.495 1.518 . . . . 0.0 107.488 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -89.44 72.35 7.97 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 124.881 1.273 . . . . 0.0 110.621 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -93.95 -39.61 10.57 Favored 'General case' 0 C--N 1.36 1.025 0 C-N-CA 125.666 1.586 . . . . 0.0 111.461 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -164.2 -175.93 4.21 Favored 'General case' 0 C--N 1.362 1.136 0 N-CA-C 104.689 -2.337 . . . . 0.0 104.689 177.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.4 tpt180 -82.59 -23.36 34.43 Favored 'General case' 0 C--N 1.363 1.194 0 C-N-CA 129.06 2.944 . . . . 0.0 114.02 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -135.78 154.59 51.17 Favored 'General case' 0 C--N 1.366 1.296 0 O-C-N 120.037 -1.664 . . . . 0.0 111.375 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.9 m -101.76 138.92 24.31 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 C-N-CA 127.334 2.254 . . . . 0.0 106.11 176.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.73 170.57 19.58 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 O-C-N 119.995 -1.691 . . . . 0.0 110.683 -176.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.4 m -119.29 123.63 44.7 Favored 'General case' 0 C--N 1.382 1.989 0 O-C-N 121.254 -0.904 . . . . 0.0 113.373 -174.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.46 ' CD2' ' CZ ' ' A' ' 66' ' ' PHE . 99.0 m-85 -104.19 133.58 48.88 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 124.042 0.937 . . . . 0.0 112.536 175.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -142.72 145.58 33.49 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 127.215 2.206 . . . . 0.0 109.583 -175.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.8 p -136.02 168.34 19.54 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 119.77 -1.831 . . . . 0.0 113.074 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -114.6 130.22 56.76 Favored 'General case' 0 C--N 1.36 1.053 0 C-N-CA 128.318 2.647 . . . . 0.0 108.249 -177.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.69 143.43 33.79 Favored 'Isoleucine or valine' 0 C--N 1.361 1.101 0 C-N-CA 125.866 1.666 . . . . 0.0 109.256 -177.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -117.74 -29.32 5.75 Favored 'General case' 0 C--N 1.367 1.341 0 C-N-CA 127.164 2.186 . . . . 0.0 112.374 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -81.46 40.93 0.59 Allowed 'General case' 0 C--N 1.367 1.356 0 O-C-N 118.705 -2.497 . . . . 0.0 113.65 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.2 m -109.22 -62.02 1.54 Allowed 'General case' 0 C--N 1.353 0.726 0 C-N-CA 130.564 3.545 . . . . 0.0 110.281 -176.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -93.4 73.18 4.48 Favored 'General case' 0 C--N 1.364 1.225 0 O-C-N 120.383 -1.448 . . . . 0.0 113.489 -178.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -93.71 62.35 1.96 Allowed Glycine 0 C--N 1.352 1.454 0 O-C-N 120.492 -1.38 . . . . 0.0 113.066 171.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -148.03 108.36 4.11 Favored 'General case' 0 C--N 1.357 0.927 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -178.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.47 -60.52 4.52 Favored Glycine 0 C--N 1.364 2.132 0 C-N-CA 125.598 1.571 . . . . 0.0 113.706 -178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -153.68 172.75 32.45 Favored Glycine 0 C--N 1.347 1.182 0 N-CA-C 104.751 -3.34 . . . . 0.0 104.751 176.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -104.94 154.46 20.06 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 118.658 1.229 . . . . 0.0 113.433 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.2 t -154.92 173.45 16.5 Favored 'General case' 0 C--N 1.361 1.083 0 N-CA-C 104.809 -2.293 . . . . 0.0 104.809 173.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -123.07 161.79 23.67 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 126.491 1.916 . . . . 0.0 110.792 -178.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -143.79 161.05 39.61 Favored 'General case' 0 C--N 1.354 0.773 0 C-N-CA 125.106 1.363 . . . . 0.0 110.01 177.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -109.47 131.64 54.88 Favored 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 129.447 3.099 . . . . 0.0 104.891 171.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.8 p -142.32 159.65 19.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.777 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -82.82 141.04 32.6 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 126.431 1.892 . . . . 0.0 109.781 176.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -95.36 -57.79 2.31 Favored 'General case' 0 C--N 1.353 0.736 0 C-N-CA 124.11 0.964 . . . . 0.0 110.527 -177.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.46 ' CZ ' ' CD2' ' A' ' 45' ' ' PHE . 14.2 p90 -162.18 171.39 17.47 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -177.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 p -132.61 133.52 43.74 Favored 'General case' 0 CA--C 1.5 -0.954 0 N-CA-C 101.91 -3.367 . . . . 0.0 101.91 175.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -148.15 164.34 34.2 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -177.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -95.69 117.03 29.74 Favored 'General case' 0 C--N 1.366 1.321 0 N-CA-C 104.795 -2.298 . . . . 0.0 104.795 172.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -174.5 154.76 2.13 Favored 'General case' 0 CA--C 1.501 -0.92 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 -167.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -108.21 107.16 17.66 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.479 ' HA ' HG22 ' A' ' 94' ' ' ILE 0.267 1.0 OUTLIER -128.67 112.63 26.72 Favored 'Isoleucine or valine' 0 C--N 1.347 0.489 0 N-CA-C 100.585 -3.858 . . . . 0.0 100.585 -178.258 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -140.09 146.94 48.53 Favored Pre-proline 0 C--N 1.361 1.087 0 O-C-N 120.794 -1.191 . . . . 0.0 110.396 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.402 ' HB2' HG21 ' A' ' 142' ' ' VAL . 84.4 Cg_endo -71.56 155.06 59.84 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 124.352 3.368 . . . . 0.0 113.251 176.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . 0.46 25.3 pt 60.45 130.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.36 1.03 0 N-CA-C 119.575 3.176 . . . . 0.0 119.575 177.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 t -112.37 152.8 28.19 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 125.805 1.642 . . . . 0.0 112.044 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.08 10.89 10.14 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 126.493 1.917 . . . . 0.0 109.898 174.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -92.01 -9.01 44.41 Favored 'General case' 0 C--N 1.365 1.266 0 N-CA-C 115.42 1.637 . . . . 0.0 115.42 -173.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -104.54 77.88 1.42 Allowed 'General case' 0 C--N 1.36 1.023 0 C-N-CA 126.123 1.769 . . . . 0.0 108.917 176.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -96.63 -5.71 38.38 Favored 'General case' 0 C--N 1.359 1.015 0 C-N-CA 126.877 2.071 . . . . 0.0 114.624 -176.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -86.8 -26.82 23.91 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 125.565 1.546 . . . . 0.0 112.054 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -160.08 134.83 7.74 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 100.774 -3.788 . . . . 0.0 100.774 176.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -91.0 23.56 3.15 Favored 'General case' 0 C--N 1.362 1.117 0 N-CA-C 115.96 1.837 . . . . 0.0 115.96 -174.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -164.85 167.54 18.63 Favored 'General case' 0 C--N 1.35 0.623 0 N-CA-C 103.793 -2.669 . . . . 0.0 103.793 177.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -109.86 -21.92 12.13 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 127.014 2.126 . . . . 0.0 114.334 -179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.1 mt -157.64 167.32 30.44 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 102.976 -2.972 . . . . 0.0 102.976 -175.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -81.32 55.77 2.68 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.03 1.732 . . . . 0.0 114.42 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.4 p -158.75 114.9 1.66 Allowed Pre-proline 0 C--N 1.359 0.993 0 CA-C-O 115.966 -1.969 . . . . 0.0 106.802 -174.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -79.59 129.25 8.25 Favored 'Trans proline' 0 CA--C 1.549 1.257 0 C-N-CA 125.137 3.891 . . . . 0.0 114.961 -177.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.6 tp -175.99 123.42 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.366 1.31 0 C-N-CA 126.728 2.011 . . . . 0.0 107.524 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -147.26 141.76 9.64 Favored Glycine 0 C--N 1.367 2.255 0 O-C-N 118.646 -2.534 . . . . 0.0 115.175 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -138.98 155.34 48.08 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -118.76 119.04 33.22 Favored 'General case' 0 C--N 1.351 0.64 0 N-CA-C 103.511 -2.774 . . . . 0.0 103.511 169.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.479 HG22 ' HA ' ' A' ' 72' ' ' VAL . 1.5 pp -139.03 131.26 36.93 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.852 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 176.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -125.07 114.68 19.38 Favored 'General case' 0 C--N 1.363 1.173 1 N-CA-C 96.755 -5.276 . . . . 0.0 96.755 165.698 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 53.6 m -138.28 109.28 8.17 Favored Pre-proline 0 C--N 1.349 0.58 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 -175.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -60.54 130.26 32.86 Favored 'Trans proline' 0 C--N 1.369 1.628 1 C-N-CA 125.685 4.257 . . . . 0.0 113.571 -176.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . 0.393 0.4 OUTLIER 21.58 17.04 0.0 OUTLIER 'General case' 0 C--N 1.358 0.974 2 C-N-CA 135.349 5.459 . . . . 0.0 123.944 -173.484 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -104.08 110.31 22.44 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 129.478 3.111 . . . . 0.0 106.814 173.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -97.93 22.48 9.22 Favored 'General case' 0 C--N 1.355 0.825 0 C-N-CA 124.929 1.292 . . . . 0.0 113.455 -176.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.418 ' HB2' ' CE1' ' A' ' 66' ' ' PHE . 38.8 mmt180 -102.78 1.91 34.85 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -175.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.464 HG12 HD13 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -52.89 -58.52 2.68 Favored 'Isoleucine or valine' 0 C--N 1.37 1.463 1 C-N-CA 131.913 4.085 . . . . 0.0 114.189 178.648 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -129.59 112.95 14.23 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 126.912 2.085 . . . . 0.0 106.22 173.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 25.0 mmtt -169.74 40.59 0.03 OUTLIER 'General case' 0 C--N 1.349 0.553 0 N-CA-C 103.935 -2.617 . . . . 0.0 103.935 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 50.8 tptt 71.42 75.31 0.18 Allowed 'General case' 0 C--N 1.366 1.31 0 C-N-CA 128.611 2.764 . . . . 0.0 111.768 -175.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.0 mtt -147.45 -177.72 5.85 Favored 'General case' 0 C--N 1.365 1.257 0 CA-C-O 122.597 1.189 . . . . 0.0 109.557 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -124.86 143.93 50.58 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 127.0 2.12 . . . . 0.0 106.203 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.9 p -146.39 146.38 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 O-C-N 120.13 -1.607 . . . . 0.0 108.63 -173.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 16.6 tt -121.26 107.97 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.529 0 N-CA-C 105.121 -2.177 . . . . 0.0 105.121 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.88 88.67 5.38 Favored 'General case' 0 C--N 1.386 2.152 0 C-N-CA 126.852 2.061 . . . . 0.0 109.212 176.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 28.1 ttt180 62.07 41.31 11.11 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 127.343 2.257 . . . . 0.0 115.77 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 92.82 9.86 60.66 Favored Glycine 0 C--N 1.364 2.108 0 N-CA-C 117.704 1.842 . . . . 0.0 117.704 -178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -115.91 121.4 42.21 Favored 'General case' 0 C--N 1.36 1.05 0 CA-C-N 120.197 1.999 . . . . 0.0 107.193 177.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 15.2 tt -112.38 117.98 56.63 Favored 'Isoleucine or valine' 0 C--N 1.365 1.277 0 N-CA-C 115.019 1.488 . . . . 0.0 115.019 -172.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 11.0 t -132.95 162.22 40.36 Favored 'Isoleucine or valine' 0 C--N 1.373 1.616 0 C-N-CA 125.956 1.702 . . . . 0.0 109.058 177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.6 t -118.72 137.85 53.05 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 126.11 1.764 . . . . 0.0 107.725 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -152.37 152.27 31.85 Favored 'General case' 0 C--N 1.362 1.134 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 -174.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.0 142.14 42.84 Favored 'Isoleucine or valine' 0 C--N 1.362 1.128 0 C-N-CA 124.979 1.311 . . . . 0.0 108.052 175.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 176.84 -168.86 41.05 Favored Glycine 0 C--N 1.362 2.015 0 N-CA-C 106.866 -2.493 . . . . 0.0 106.866 179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -150.91 127.01 5.06 Favored Pre-proline 0 C--N 1.37 1.46 0 CA-C-O 116.707 -1.616 . . . . 0.0 108.245 177.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -87.07 158.35 8.54 Favored 'Trans proline' 0 CA--C 1.553 1.449 1 C-N-CA 125.673 4.249 . . . . 0.0 112.552 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 5.6 t -100.29 135.77 34.65 Favored 'Isoleucine or valine' 0 C--N 1.361 1.067 0 C-N-CA 127.962 2.505 . . . . 0.0 109.289 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -101.56 126.73 48.42 Favored 'General case' 0 C--N 1.362 1.132 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -177.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.6 tp -93.72 -20.24 20.32 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 127.149 2.18 . . . . 0.0 110.904 173.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . 0.321 66.5 m 50.11 -122.56 1.86 Allowed 'General case' 0 C--N 1.363 1.188 0 N-CA-C 119.55 3.167 . . . . 0.0 119.55 175.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -72.91 51.22 1.57 Allowed Glycine 0 C--N 1.368 2.356 0 N-CA-C 119.017 2.367 . . . . 0.0 119.017 -169.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 96.1 mt -131.73 -81.18 0.51 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 128.114 2.565 . . . . 0.0 106.28 178.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -100.26 -20.56 15.84 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 124.835 1.254 . . . . 0.0 111.823 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 75.12 59.04 0.06 Allowed 'General case' 0 C--N 1.366 1.293 0 C-N-CA 128.43 2.692 . . . . 0.0 111.539 -176.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.437 HD13 HH21 ' A' ' 132' ' ' ARG . 19.4 tt -126.93 134.98 64.95 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-O 123.736 1.731 . . . . 0.0 113.263 -174.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -113.3 114.69 27.03 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 128.834 2.854 . . . . 0.0 104.903 174.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.437 HH21 HD13 ' A' ' 130' ' ' ILE . 29.1 ttm180 -125.79 138.26 53.83 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 125.77 1.628 . . . . 0.0 114.685 -172.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.44 ' H ' HG13 ' A' ' 94' ' ' ILE . 0.4 OUTLIER -127.77 128.57 69.48 Favored 'Isoleucine or valine' 0 C--N 1.366 1.297 0 N-CA-C 103.056 -2.942 . . . . 0.0 103.056 165.711 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -129.63 107.55 9.53 Favored 'General case' 0 C--N 1.362 1.149 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 168.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -124.67 156.06 18.58 Favored Glycine 0 C--N 1.357 1.735 0 O-C-N 120.404 -1.435 . . . . 0.0 110.553 -177.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -126.55 145.29 50.59 Favored 'General case' 0 C--N 1.364 1.234 0 CA-C-N 119.693 1.747 . . . . 0.0 112.495 -174.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -109.16 109.6 20.61 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 129.033 2.933 . . . . 0.0 110.676 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -85.72 76.0 10.01 Favored 'General case' 0 C--N 1.359 1.022 0 C-N-CA 125.146 1.378 . . . . 0.0 110.046 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 171.32 -148.0 10.77 Favored Glycine 0 C--N 1.352 1.425 0 N-CA-C 108.148 -1.981 . . . . 0.0 108.148 -177.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -146.07 132.32 19.49 Favored 'General case' 0 C--N 1.351 0.639 0 O-C-N 121.349 -1.089 . . . . 0.0 108.182 -179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -176.13 -179.44 1.12 Allowed 'General case' 0 C--N 1.359 0.985 0 N-CA-C 103.376 -2.824 . . . . 0.0 103.376 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.402 HG21 ' HB2' ' A' ' 74' ' ' PRO 0.352 11.7 m 52.43 -41.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.355 1 N-CA-C 122.259 4.17 . . . . 0.0 122.259 175.809 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.547 0 C-N-CA 125.102 1.334 . . . . 0.0 110.074 -176.615 . . . . . . . . 0 0 . 1 stop_ save_